REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2p9c_1_B DATA FIRST_RESID 6 DATA SEQUENCE LEKDKIKFLL VEGVHQKALE SLRAAGYTNI EFHKGALDDE QLKESIRDAH DATA SEQUENCE FIGLRSRTHL TEDVINAAEK LVAIGAFAIG TNQVDLDAAA KRGIPVFNAP DATA SEQUENCE FSNTRSVAEL VIGELLLLLR GVPEANAKAH RGVWNKLAAG SFEARGKKLG DATA SEQUENCE IIGYGHIGTQ LGILAESLGM YVYFYDIENK LPLGNATQVQ HLSDLLNMSD DATA SEQUENCE VVSLHVPENP STKNMMGAKE ISLMKPGSLL INASRGTVVD IPALADALAS DATA SEQUENCE KHLAGAAIDV FPTEPATNSD PFTSPLAEFD NVLLTPHIGG STQEAQENIG DATA SEQUENCE LEVAGKLIKY SDNGSTLSAV NFPEVSLPLH VGRRLMHIHE NRPGVLTALN DATA SEQUENCE KIFAEQGVNI AAQYLQTSAQ MGYVVIDIEA DEDVAEKALQ AMKAIPGTIR DATA SEQUENCE ARLLY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.863 176.870 -0.011 0.000 1.165 6 L CA 0.000 54.822 54.840 -0.030 0.000 0.813 6 L CB 0.000 42.035 42.059 -0.040 0.000 0.961 7 E N 1.385 121.586 120.200 0.002 0.000 2.165 7 E HA -0.308 4.055 4.350 0.022 0.000 0.203 7 E C 0.566 177.161 176.600 -0.009 0.000 1.335 7 E CA 1.466 57.869 56.400 0.005 0.000 0.708 7 E CB -0.131 29.577 29.700 0.013 0.000 1.105 7 E HN 0.597 nan 8.360 nan 0.000 0.346 8 K N -0.684 119.706 120.400 -0.016 0.000 2.532 8 K HA -0.010 4.323 4.320 0.022 0.000 0.169 8 K C 0.266 176.881 176.600 0.024 0.000 1.870 8 K CA 0.280 56.548 56.287 -0.031 0.000 1.217 8 K CB 0.204 32.577 32.500 -0.211 0.000 1.863 8 K HN -0.002 nan 8.250 nan 0.000 0.566 9 D N 1.481 121.886 120.400 0.008 0.000 2.392 9 D HA -0.048 4.605 4.640 0.022 0.000 0.228 9 D C 1.273 177.615 176.300 0.069 0.000 1.003 9 D CA 0.932 54.956 54.000 0.040 0.000 0.917 9 D CB 0.405 41.216 40.800 0.018 0.000 0.890 9 D HN 0.062 nan 8.370 nan 0.000 0.532 10 K N -0.440 119.998 120.400 0.064 0.000 2.387 10 K HA 0.214 4.548 4.320 0.022 0.000 0.197 10 K C 0.701 177.342 176.600 0.069 0.000 1.127 10 K CA -0.116 56.216 56.287 0.075 0.000 0.950 10 K CB 1.038 33.569 32.500 0.052 0.000 1.017 10 K HN 0.150 nan 8.250 nan 0.000 0.519 11 I N 3.388 123.944 120.570 -0.024 0.000 2.494 11 I HA -0.026 4.157 4.170 0.022 0.000 0.289 11 I C 0.514 176.708 176.117 0.128 0.000 1.106 11 I CA 0.118 61.263 61.300 -0.258 0.000 1.369 11 I CB 0.194 38.148 38.000 -0.075 0.000 1.410 11 I HN -0.092 nan 8.210 nan 0.000 0.523 12 K N 7.235 127.890 120.400 0.426 0.000 2.156 12 K HA 0.423 4.756 4.320 0.022 0.000 0.271 12 K C -1.347 175.338 176.600 0.142 0.000 0.995 12 K CA -0.455 56.031 56.287 0.331 0.000 0.890 12 K CB 0.880 33.548 32.500 0.280 0.000 1.073 12 K HN 0.272 nan 8.250 nan 0.000 0.454 13 F N 4.576 124.666 119.950 0.233 0.000 2.402 13 F HA 0.283 4.823 4.527 0.022 0.000 0.355 13 F C -0.300 175.584 175.800 0.139 0.000 1.123 13 F CA -1.011 57.103 58.000 0.191 0.000 1.021 13 F CB 1.289 40.347 39.000 0.097 0.000 1.160 13 F HN 0.344 nan 8.300 nan 0.000 0.451 14 L N 5.886 127.267 121.223 0.264 0.000 2.265 14 L HA 0.552 4.905 4.340 0.022 0.000 0.288 14 L C -1.194 175.785 176.870 0.181 0.000 1.058 14 L CA -0.333 54.623 54.840 0.193 0.000 0.809 14 L CB 0.486 42.624 42.059 0.132 0.000 1.179 14 L HN 0.457 nan 8.230 nan 0.000 0.429 15 L N 6.920 128.235 121.223 0.153 0.000 2.372 15 L HA 0.630 4.984 4.340 0.022 0.000 0.274 15 L C -0.454 176.444 176.870 0.046 0.000 0.988 15 L CA -0.892 53.999 54.840 0.085 0.000 0.833 15 L CB 1.742 43.865 42.059 0.107 0.000 1.236 15 L HN 0.505 nan 8.230 nan 0.000 0.410 16 V N -0.823 119.088 119.914 -0.005 0.000 3.103 16 V HA 0.584 4.717 4.120 0.022 0.000 0.318 16 V C 0.281 176.326 176.094 -0.081 0.000 1.114 16 V CA -0.565 61.709 62.300 -0.044 0.000 1.020 16 V CB 1.664 33.470 31.823 -0.029 0.000 1.085 16 V HN 0.893 nan 8.190 nan 0.000 0.446 17 E N 0.620 120.759 120.200 -0.102 0.000 3.070 17 E HA -0.176 4.187 4.350 0.022 0.000 0.285 17 E C 0.850 177.415 176.600 -0.057 0.000 0.972 17 E CA 0.583 56.937 56.400 -0.078 0.000 0.915 17 E CB -1.715 27.956 29.700 -0.048 0.000 1.466 17 E HN 2.238 nan 8.360 nan 0.000 0.432 18 G N 0.347 109.087 108.800 -0.100 0.000 2.374 18 G HA2 -0.217 3.756 3.960 0.022 0.000 0.289 18 G HA3 -0.217 3.756 3.960 0.022 0.000 0.289 18 G C 0.488 175.468 174.900 0.133 0.000 1.004 18 G CA 0.291 45.420 45.100 0.047 0.000 1.292 18 G HN 0.906 nan 8.290 nan 0.000 0.502 19 V N -0.553 119.437 119.914 0.126 0.000 3.503 19 V HA 0.431 4.564 4.120 0.022 0.000 0.300 19 V C 1.324 177.490 176.094 0.120 0.000 1.099 19 V CA -0.640 61.688 62.300 0.047 0.000 1.117 19 V CB 0.899 32.538 31.823 -0.308 0.000 1.122 19 V HN 0.634 nan 8.190 nan 0.000 0.476 20 H N 1.174 120.271 119.070 0.044 0.000 2.732 20 H HA 0.115 4.685 4.556 0.023 0.000 0.351 20 H C 1.001 176.297 175.328 -0.052 0.000 1.090 20 H CA 0.117 56.178 56.048 0.020 0.000 1.431 20 H CB 1.304 31.090 29.762 0.041 0.000 1.447 20 H HN 0.794 nan 8.280 nan 0.000 0.582 21 Q N 3.214 122.728 119.800 -0.476 0.000 2.376 21 Q HA -0.150 4.204 4.340 0.022 0.000 0.211 21 Q C 1.596 177.492 176.000 -0.173 0.000 0.986 21 Q CA 0.926 56.503 55.803 -0.377 0.000 0.886 21 Q CB 0.175 28.667 28.738 -0.411 0.000 0.927 21 Q HN 0.569 nan 8.270 nan 0.000 0.457 22 K N -0.106 120.329 120.400 0.059 0.000 2.211 22 K HA -0.041 4.292 4.320 0.022 0.000 0.203 22 K C 1.881 178.516 176.600 0.058 0.000 1.050 22 K CA 0.811 57.172 56.287 0.122 0.000 0.945 22 K CB 0.005 32.653 32.500 0.246 0.000 0.732 22 K HN 0.139 nan 8.250 nan 0.000 0.451 23 A N 1.146 124.013 122.820 0.078 0.000 1.873 23 A HA -0.141 4.192 4.320 0.022 0.000 0.215 23 A C 2.170 179.713 177.584 -0.069 0.000 1.186 23 A CA 1.131 53.218 52.037 0.084 0.000 0.616 23 A CB -0.482 18.623 19.000 0.174 0.000 0.823 23 A HN 0.126 nan 8.150 nan 0.000 0.442 24 L N 0.613 121.741 121.223 -0.157 0.000 2.012 24 L HA -0.230 4.123 4.340 0.022 0.000 0.210 24 L C 2.621 179.391 176.870 -0.166 0.000 1.073 24 L CA 2.282 56.993 54.840 -0.216 0.000 0.748 24 L CB -0.721 41.155 42.059 -0.304 0.000 0.891 24 L HN 0.727 nan 8.230 nan 0.000 0.431 25 E N -1.649 118.474 120.200 -0.130 0.000 2.347 25 E HA -0.126 4.237 4.350 0.022 0.000 0.196 25 E C 1.984 178.538 176.600 -0.077 0.000 1.008 25 E CA 1.117 57.458 56.400 -0.097 0.000 0.852 25 E CB -0.231 29.421 29.700 -0.080 0.000 0.783 25 E HN 0.354 nan 8.360 nan 0.000 0.505 26 S N 1.036 116.692 115.700 -0.073 0.000 2.371 26 S HA 0.000 4.484 4.470 0.022 0.000 0.224 26 S C 1.930 176.477 174.600 -0.088 0.000 1.029 26 S CA 0.720 58.880 58.200 -0.067 0.000 0.978 26 S CB -0.148 63.021 63.200 -0.053 0.000 0.833 26 S HN 0.251 nan 8.310 nan 0.000 0.466 27 L N 0.987 122.119 121.223 -0.151 0.000 2.017 27 L HA -0.099 4.254 4.340 0.022 0.000 0.208 27 L C 2.683 179.517 176.870 -0.059 0.000 1.073 27 L CA 1.295 56.021 54.840 -0.189 0.000 0.745 27 L CB -0.583 41.210 42.059 -0.444 0.000 0.894 27 L HN 0.213 nan 8.230 nan 0.000 0.432 28 R N 0.397 120.846 120.500 -0.086 0.000 2.083 28 R HA -0.143 4.210 4.340 0.022 0.000 0.237 28 R C 2.444 178.713 176.300 -0.053 0.000 1.137 28 R CA 1.400 57.462 56.100 -0.062 0.000 0.951 28 R CB -0.663 29.593 30.300 -0.073 0.000 0.851 28 R HN 0.355 nan 8.270 nan 0.000 0.434 29 A N 1.113 123.903 122.820 -0.051 0.000 2.032 29 A HA -0.104 4.229 4.320 0.022 0.000 0.221 29 A C 2.005 179.567 177.584 -0.037 0.000 1.165 29 A CA 1.769 53.779 52.037 -0.044 0.000 0.645 29 A CB -0.335 18.641 19.000 -0.040 0.000 0.807 29 A HN 0.413 nan 8.150 nan 0.000 0.453 30 A N -2.085 120.728 122.820 -0.011 0.000 2.423 30 A HA 0.470 4.803 4.320 0.022 0.000 0.246 30 A C 1.534 179.068 177.584 -0.083 0.000 1.278 30 A CA 0.920 52.967 52.037 0.016 0.000 0.903 30 A CB -0.815 18.256 19.000 0.118 0.000 0.997 30 A HN 1.843 nan 8.150 nan 0.000 0.510 31 G N -1.628 107.094 108.800 -0.130 0.000 2.143 31 G HA2 -0.289 3.684 3.960 0.022 0.000 0.249 31 G HA3 -0.289 3.684 3.960 0.022 0.000 0.249 31 G C -0.231 174.447 174.900 -0.369 0.000 0.981 31 G CA 0.346 45.295 45.100 -0.252 0.000 0.665 31 G HN 0.458 nan 8.290 nan 0.000 0.528 32 Y N 1.076 121.343 120.300 -0.054 0.000 2.434 32 Y HA 0.499 5.062 4.550 0.022 0.000 0.341 32 Y C 1.596 177.464 175.900 -0.054 0.000 0.965 32 Y CA 0.118 58.209 58.100 -0.014 0.000 1.205 32 Y CB 1.630 40.052 38.460 -0.063 0.000 1.121 32 Y HN 0.240 nan 8.280 nan 0.000 0.507 33 T N -2.263 112.361 114.554 0.116 0.000 2.985 33 T HA 0.061 4.424 4.350 0.022 0.000 0.254 33 T C 0.535 175.302 174.700 0.110 0.000 1.021 33 T CA -0.189 61.947 62.100 0.061 0.000 0.957 33 T CB -0.056 68.821 68.868 0.015 0.000 1.047 33 T HN 0.316 nan 8.240 nan 0.000 0.511 34 N N 2.177 121.001 118.700 0.207 0.000 2.671 34 N HA 0.255 5.008 4.740 0.022 0.000 0.274 34 N C -1.085 174.592 175.510 0.279 0.000 1.188 34 N CA -0.385 52.796 53.050 0.219 0.000 1.065 34 N CB -0.755 37.871 38.487 0.231 0.000 1.415 34 N HN 0.571 nan 8.380 nan 0.000 0.511 35 I N 1.075 121.752 120.570 0.178 0.000 2.418 35 I HA 0.227 4.410 4.170 0.022 0.000 0.287 35 I C 0.220 176.412 176.117 0.124 0.000 1.008 35 I CA -0.767 60.635 61.300 0.170 0.000 1.104 35 I CB 1.831 39.866 38.000 0.057 0.000 1.264 35 I HN 0.227 nan 8.210 nan 0.000 0.438 36 E N 6.951 127.235 120.200 0.139 0.000 2.109 36 E HA 0.337 4.701 4.350 0.022 0.000 0.278 36 E C -1.747 174.882 176.600 0.048 0.000 0.954 36 E CA -0.552 55.883 56.400 0.057 0.000 0.779 36 E CB 1.329 31.071 29.700 0.069 0.000 1.093 36 E HN 0.490 nan 8.360 nan 0.000 0.401 37 F N 5.330 125.130 119.950 -0.250 0.000 2.482 37 F HA 0.397 4.937 4.527 0.022 0.000 0.331 37 F C -0.966 174.595 175.800 -0.399 0.000 1.115 37 F CA -0.604 57.257 58.000 -0.232 0.000 0.955 37 F CB 1.050 39.957 39.000 -0.156 0.000 1.136 37 F HN 0.484 nan 8.300 nan 0.000 0.452 38 H N 5.427 124.008 119.070 -0.817 0.000 2.679 38 H HA 0.282 4.851 4.556 0.022 0.000 0.360 38 H C 0.070 174.859 175.328 -0.899 0.000 1.105 38 H CA -0.729 54.907 56.048 -0.686 0.000 1.196 38 H CB 2.553 32.126 29.762 -0.315 0.000 1.636 38 H HN 0.711 nan 8.280 nan 0.000 0.531 39 K N 1.658 121.750 120.400 -0.513 0.000 2.031 39 K HA 0.026 4.359 4.320 0.022 0.000 0.205 39 K C 1.294 177.781 176.600 -0.189 0.000 1.049 39 K CA 0.979 57.052 56.287 -0.355 0.000 0.939 39 K CB 0.241 32.642 32.500 -0.165 0.000 0.717 39 K HN 0.574 nan 8.250 nan 0.000 0.438 40 G N 0.016 108.735 108.800 -0.136 0.000 2.642 40 G HA2 0.560 4.533 3.960 0.022 0.000 0.291 40 G HA3 0.560 4.533 3.960 0.022 0.000 0.291 40 G C -1.095 173.740 174.900 -0.108 0.000 1.345 40 G CA -0.472 44.568 45.100 -0.099 0.000 1.043 40 G HN 0.259 nan 8.290 nan 0.000 0.528 41 A N -1.184 121.580 122.820 -0.094 0.000 2.286 41 A HA 0.713 5.046 4.320 0.022 0.000 0.286 41 A C -0.321 177.193 177.584 -0.117 0.000 1.097 41 A CA -0.425 51.553 52.037 -0.097 0.000 0.821 41 A CB 0.519 19.472 19.000 -0.078 0.000 1.076 41 A HN 0.523 nan 8.150 nan 0.000 0.490 42 L N 1.882 123.034 121.223 -0.118 0.000 2.322 42 L HA 0.293 4.646 4.340 0.022 0.000 0.281 42 L C 0.158 176.980 176.870 -0.080 0.000 1.014 42 L CA -0.956 53.805 54.840 -0.131 0.000 0.815 42 L CB 1.562 43.523 42.059 -0.164 0.000 1.247 42 L HN 0.942 nan 8.230 nan 0.000 0.421 43 D N 2.004 122.361 120.400 -0.072 0.000 2.361 43 D HA -0.071 4.582 4.640 0.022 0.000 0.239 43 D C 0.223 176.499 176.300 -0.040 0.000 1.200 43 D CA -0.192 53.782 54.000 -0.044 0.000 0.915 43 D CB 1.233 42.009 40.800 -0.040 0.000 1.170 43 D HN 0.511 nan 8.370 nan 0.000 0.444 44 D N 0.744 121.131 120.400 -0.023 0.000 2.117 44 D HA -0.164 4.489 4.640 0.022 0.000 0.197 44 D C 1.587 177.872 176.300 -0.025 0.000 0.987 44 D CA 1.242 55.231 54.000 -0.018 0.000 0.829 44 D CB 0.179 40.973 40.800 -0.009 0.000 0.961 44 D HN 0.609 nan 8.370 nan 0.000 0.460 45 E N 0.589 120.773 120.200 -0.027 0.000 2.150 45 E HA -0.140 4.223 4.350 0.022 0.000 0.193 45 E C 2.110 178.690 176.600 -0.033 0.000 0.985 45 E CA 0.549 56.933 56.400 -0.026 0.000 0.814 45 E CB -0.013 29.673 29.700 -0.023 0.000 0.752 45 E HN 0.380 nan 8.360 nan 0.000 0.466 46 Q N 0.178 119.949 119.800 -0.049 0.000 2.187 46 Q HA -0.081 4.272 4.340 0.022 0.000 0.199 46 Q C 2.186 178.146 176.000 -0.067 0.000 0.957 46 Q CA 0.435 56.197 55.803 -0.068 0.000 0.857 46 Q CB 0.099 28.769 28.738 -0.113 0.000 0.929 46 Q HN 0.155 nan 8.270 nan 0.000 0.453 47 L N 1.220 122.407 121.223 -0.060 0.000 2.007 47 L HA -0.140 4.213 4.340 0.022 0.000 0.205 47 L C 1.816 178.670 176.870 -0.027 0.000 1.073 47 L CA 1.853 56.666 54.840 -0.045 0.000 0.744 47 L CB -0.227 41.810 42.059 -0.037 0.000 0.898 47 L HN -0.076 nan 8.230 nan 0.000 0.435 48 K N -0.679 119.707 120.400 -0.024 0.000 2.286 48 K HA -0.213 4.120 4.320 0.022 0.000 0.203 48 K C 2.020 178.609 176.600 -0.019 0.000 1.045 48 K CA 1.440 57.715 56.287 -0.020 0.000 0.935 48 K CB -0.065 32.424 32.500 -0.018 0.000 0.737 48 K HN 0.456 nan 8.250 nan 0.000 0.460 49 E N -0.341 119.847 120.200 -0.019 0.000 2.216 49 E HA 0.001 4.364 4.350 0.022 0.000 0.192 49 E C 1.652 178.250 176.600 -0.003 0.000 0.973 49 E CA 0.402 56.794 56.400 -0.012 0.000 0.851 49 E CB 0.349 30.043 29.700 -0.011 0.000 0.804 49 E HN 0.056 nan 8.360 nan 0.000 0.477 50 S N 0.730 116.431 115.700 0.001 0.000 2.414 50 S HA 0.039 4.522 4.470 0.022 0.000 0.227 50 S C 1.906 176.518 174.600 0.020 0.000 1.022 50 S CA 0.163 58.380 58.200 0.029 0.000 0.958 50 S CB 0.081 63.311 63.200 0.050 0.000 0.797 50 S HN 0.290 nan 8.310 nan 0.000 0.493 51 I N 2.137 122.707 120.570 0.000 0.000 2.500 51 I HA -0.148 4.035 4.170 0.022 0.000 0.252 51 I C 2.330 178.421 176.117 -0.044 0.000 1.142 51 I CA 0.900 62.192 61.300 -0.014 0.000 1.451 51 I CB -0.095 37.895 38.000 -0.015 0.000 1.093 51 I HN 0.251 nan 8.210 nan 0.000 0.430 52 R N 0.996 121.472 120.500 -0.041 0.000 2.170 52 R HA -0.195 4.158 4.340 0.022 0.000 0.242 52 R C 0.820 177.068 176.300 -0.087 0.000 1.145 52 R CA 1.878 57.944 56.100 -0.057 0.000 0.984 52 R CB -0.714 29.562 30.300 -0.039 0.000 0.869 52 R HN 0.467 nan 8.270 nan 0.000 0.455 53 D N -0.018 120.329 120.400 -0.088 0.000 2.593 53 D HA 0.226 4.879 4.640 0.022 0.000 0.241 53 D C -0.665 175.504 176.300 -0.219 0.000 1.257 53 D CA -0.395 53.522 54.000 -0.138 0.000 0.828 53 D CB 0.571 41.330 40.800 -0.070 0.000 1.049 53 D HN 0.336 nan 8.370 nan 0.000 0.490 54 A N 0.314 123.009 122.820 -0.208 0.000 2.304 54 A HA 0.416 4.749 4.320 0.022 0.000 0.323 54 A C 0.551 177.947 177.584 -0.314 0.000 1.195 54 A CA -0.652 51.278 52.037 -0.179 0.000 0.826 54 A CB 0.672 19.649 19.000 -0.039 0.000 1.184 54 A HN 0.263 nan 8.150 nan 0.000 0.496 55 H N 1.414 120.383 119.070 -0.169 0.000 2.448 55 H HA 0.130 4.700 4.556 0.022 0.000 0.292 55 H C -0.710 174.166 175.328 -0.753 0.000 1.035 55 H CA 1.224 57.031 56.048 -0.402 0.000 1.349 55 H CB 0.230 29.810 29.762 -0.304 0.000 1.425 55 H HN 0.612 nan 8.280 nan 0.000 0.539 56 F N -0.030 119.810 119.950 -0.183 0.000 2.591 56 F HA 0.426 4.966 4.527 0.022 0.000 0.309 56 F C -0.416 175.375 175.800 -0.015 0.000 1.098 56 F CA -0.845 57.073 58.000 -0.135 0.000 0.937 56 F CB 2.454 41.286 39.000 -0.280 0.000 1.250 56 F HN -0.208 nan 8.300 nan 0.000 0.447 57 I N 1.402 122.110 120.570 0.229 0.000 2.474 57 I HA 0.796 4.979 4.170 0.022 0.000 0.294 57 I C -0.503 175.767 176.117 0.255 0.000 1.005 57 I CA -0.439 60.981 61.300 0.199 0.000 1.113 57 I CB 1.673 39.736 38.000 0.106 0.000 1.289 57 I HN 0.719 nan 8.210 nan 0.000 0.436 58 G N 8.076 117.002 108.800 0.210 0.000 2.487 58 G HA2 0.603 4.576 3.960 0.022 0.000 0.314 58 G HA3 0.603 4.576 3.960 0.022 0.000 0.314 58 G C -1.055 173.879 174.900 0.057 0.000 1.267 58 G CA -0.548 44.660 45.100 0.181 0.000 0.937 58 G HN 0.697 nan 8.290 nan 0.000 0.481 59 L N -0.040 121.264 121.223 0.135 0.000 2.230 59 L HA 0.863 5.216 4.340 0.022 0.000 0.255 59 L C 0.139 177.062 176.870 0.089 0.000 1.039 59 L CA -1.565 53.312 54.840 0.061 0.000 0.846 59 L CB 1.709 43.791 42.059 0.038 0.000 1.419 59 L HN 0.422 nan 8.230 nan 0.000 0.435 60 R N -0.542 119.976 120.500 0.030 0.000 3.091 60 R HA 0.414 4.767 4.340 0.022 0.000 0.197 60 R C 1.226 177.514 176.300 -0.019 0.000 1.554 60 R CA 0.101 56.220 56.100 0.032 0.000 0.895 60 R CB 0.379 30.691 30.300 0.020 0.000 2.235 60 R HN 0.844 nan 8.270 nan 0.000 0.512 61 S N -0.169 115.502 115.700 -0.048 0.000 2.548 61 S HA 0.126 4.609 4.470 0.022 0.000 0.215 61 S C 1.581 176.090 174.600 -0.151 0.000 0.976 61 S CA 0.136 58.286 58.200 -0.084 0.000 0.908 61 S CB 0.186 63.337 63.200 -0.082 0.000 0.781 61 S HN 0.282 nan 8.310 nan 0.000 0.519 62 R N 1.016 121.425 120.500 -0.152 0.000 2.175 62 R HA 0.215 4.568 4.340 0.022 0.000 0.202 62 R C 0.045 176.161 176.300 -0.306 0.000 1.018 62 R CA 0.577 56.558 56.100 -0.198 0.000 1.029 62 R CB -0.020 30.213 30.300 -0.112 0.000 0.959 62 R HN 0.227 nan 8.270 nan 0.000 0.480 63 T N 1.436 115.854 114.554 -0.227 0.000 2.814 63 T HA 0.102 4.465 4.350 0.022 0.000 0.297 63 T C -0.577 173.971 174.700 -0.254 0.000 0.956 63 T CA -0.078 61.911 62.100 -0.186 0.000 1.123 63 T CB 0.516 69.335 68.868 -0.082 0.000 0.902 63 T HN 0.137 nan 8.240 nan 0.000 0.528 64 H N 4.129 123.193 119.070 -0.010 0.000 2.761 64 H HA 0.214 4.784 4.556 0.022 0.000 0.284 64 H C 0.022 175.345 175.328 -0.010 0.000 1.105 64 H CA -0.384 55.659 56.048 -0.008 0.000 1.352 64 H CB 0.425 30.181 29.762 -0.010 0.000 1.423 64 H HN 0.416 nan 8.280 nan 0.000 0.464 65 L N 3.803 125.075 121.223 0.082 0.000 2.401 65 L HA 0.053 4.406 4.340 0.022 0.000 0.283 65 L C 1.135 178.033 176.870 0.046 0.000 1.151 65 L CA 0.002 54.869 54.840 0.046 0.000 0.942 65 L CB 0.255 42.328 42.059 0.024 0.000 1.283 65 L HN 0.450 nan 8.230 nan 0.000 0.442 66 T N 0.215 114.794 114.554 0.042 0.000 2.902 66 T HA 0.042 4.405 4.350 0.022 0.000 0.280 66 T C 1.215 175.918 174.700 0.005 0.000 0.992 66 T CA -0.396 61.717 62.100 0.023 0.000 1.015 66 T CB 1.404 70.281 68.868 0.014 0.000 1.044 66 T HN 0.733 nan 8.240 nan 0.000 0.520 67 E N 0.936 121.134 120.200 -0.003 0.000 2.114 67 E HA -0.245 4.118 4.350 0.022 0.000 0.199 67 E C 0.917 177.510 176.600 -0.011 0.000 1.008 67 E CA 2.164 58.559 56.400 -0.009 0.000 0.810 67 E CB 0.001 29.695 29.700 -0.011 0.000 0.739 67 E HN 0.641 nan 8.360 nan 0.000 0.456 68 D N -0.245 120.149 120.400 -0.010 0.000 2.103 68 D HA -0.101 4.552 4.640 0.022 0.000 0.199 68 D C 2.107 178.400 176.300 -0.012 0.000 0.978 68 D CA 0.924 54.917 54.000 -0.012 0.000 0.829 68 D CB -0.368 40.425 40.800 -0.012 0.000 0.981 68 D HN 0.080 nan 8.370 nan 0.000 0.464 69 V N 1.293 121.203 119.914 -0.007 0.000 2.317 69 V HA -0.277 3.856 4.120 0.022 0.000 0.251 69 V C 2.449 178.534 176.094 -0.015 0.000 1.065 69 V CA 1.369 63.664 62.300 -0.008 0.000 1.049 69 V CB -0.414 31.410 31.823 0.002 0.000 0.651 69 V HN 0.205 nan 8.190 nan 0.000 0.450 70 I N 0.163 120.724 120.570 -0.015 0.000 2.163 70 I HA -0.212 3.971 4.170 0.022 0.000 0.240 70 I C 2.225 178.324 176.117 -0.030 0.000 1.081 70 I CA 1.595 62.880 61.300 -0.024 0.000 1.353 70 I CB -0.531 37.456 38.000 -0.022 0.000 1.054 70 I HN 0.336 nan 8.210 nan 0.000 0.407 71 N N 1.106 119.791 118.700 -0.025 0.000 2.430 71 N HA -0.129 4.624 4.740 0.022 0.000 0.186 71 N C 1.613 177.106 175.510 -0.028 0.000 1.032 71 N CA 1.283 54.318 53.050 -0.026 0.000 0.893 71 N CB -0.337 38.138 38.487 -0.020 0.000 0.957 71 N HN 0.385 nan 8.380 nan 0.000 0.442 72 A N -0.025 122.779 122.820 -0.027 0.000 2.067 72 A HA 0.335 4.668 4.320 0.022 0.000 0.217 72 A C 1.093 178.655 177.584 -0.037 0.000 1.156 72 A CA 0.515 52.535 52.037 -0.028 0.000 0.683 72 A CB -0.159 18.827 19.000 -0.023 0.000 0.808 72 A HN 0.229 nan 8.150 nan 0.000 0.455 73 A N 1.096 123.889 122.820 -0.044 0.000 2.350 73 A HA 0.448 4.782 4.320 0.022 0.000 0.293 73 A C 0.758 178.297 177.584 -0.076 0.000 1.231 73 A CA -0.056 51.943 52.037 -0.063 0.000 0.883 73 A CB -0.039 18.921 19.000 -0.068 0.000 1.133 73 A HN 0.558 nan 8.150 nan 0.000 0.533 74 E N 2.249 122.399 120.200 -0.083 0.000 2.474 74 E HA 0.053 4.416 4.350 0.022 0.000 0.194 74 E C 0.253 176.790 176.600 -0.105 0.000 1.041 74 E CA 0.347 56.699 56.400 -0.079 0.000 0.874 74 E CB 0.178 29.843 29.700 -0.059 0.000 0.914 74 E HN 0.683 nan 8.360 nan 0.000 0.498 75 K N 0.903 121.204 120.400 -0.164 0.000 2.536 75 K HA 0.209 4.543 4.320 0.022 0.000 0.203 75 K C -0.393 176.049 176.600 -0.263 0.000 1.063 75 K CA -0.380 55.770 56.287 -0.228 0.000 1.063 75 K CB 0.799 33.065 32.500 -0.391 0.000 0.843 75 K HN 0.003 nan 8.250 nan 0.000 0.521 76 L N 1.319 122.420 121.223 -0.204 0.000 2.313 76 L HA 0.083 4.436 4.340 0.022 0.000 0.282 76 L C 0.743 177.471 176.870 -0.237 0.000 1.092 76 L CA 0.319 55.024 54.840 -0.225 0.000 0.831 76 L CB 1.216 43.181 42.059 -0.157 0.000 1.159 76 L HN -0.146 nan 8.230 nan 0.000 0.442 77 V N 4.506 124.187 119.914 -0.388 0.000 2.908 77 V HA 0.554 4.687 4.120 0.022 0.000 0.240 77 V C 0.639 176.556 176.094 -0.295 0.000 1.117 77 V CA 0.779 62.858 62.300 -0.367 0.000 1.133 77 V CB 0.098 31.571 31.823 -0.584 0.000 0.857 77 V HN 0.892 nan 8.190 nan 0.000 0.478 78 A N -0.475 122.117 122.820 -0.379 0.000 2.612 78 A HA 0.790 5.123 4.320 0.022 0.000 0.293 78 A C -1.583 176.031 177.584 0.049 0.000 1.075 78 A CA -0.413 51.555 52.037 -0.116 0.000 0.680 78 A CB 1.457 20.513 19.000 0.093 0.000 1.279 78 A HN 0.122 nan 8.150 nan 0.000 0.411 79 I N 0.682 121.282 120.570 0.051 0.000 2.509 79 I HA 0.602 4.785 4.170 0.022 0.000 0.293 79 I C 0.503 176.732 176.117 0.186 0.000 1.020 79 I CA -0.608 60.754 61.300 0.102 0.000 1.088 79 I CB 2.476 40.483 38.000 0.011 0.000 1.267 79 I HN 0.785 nan 8.210 nan 0.000 0.430 80 G N 4.257 113.211 108.800 0.256 0.000 2.605 80 G HA2 0.607 4.580 3.960 0.022 0.000 0.304 80 G HA3 0.607 4.580 3.960 0.022 0.000 0.304 80 G C -0.503 174.568 174.900 0.286 0.000 1.333 80 G CA -0.471 44.793 45.100 0.273 0.000 0.973 80 G HN 0.749 nan 8.290 nan 0.000 0.507 81 A N 2.666 125.571 122.820 0.142 0.000 2.544 81 A HA 0.490 4.823 4.320 0.022 0.000 0.301 81 A C -0.164 177.479 177.584 0.097 0.000 1.368 81 A CA -0.506 51.606 52.037 0.125 0.000 1.045 81 A CB -0.453 18.569 19.000 0.038 0.000 1.129 81 A HN 0.602 nan 8.150 nan 0.000 0.540 82 F N 2.239 122.204 119.950 0.024 0.000 2.626 82 F HA 0.377 4.917 4.527 0.022 0.000 0.374 82 F C 1.104 176.904 175.800 -0.000 0.000 1.184 82 F CA 1.225 59.235 58.000 0.017 0.000 1.339 82 F CB -0.630 38.391 39.000 0.035 0.000 1.730 82 F HN 0.735 nan 8.300 nan 0.000 0.650 83 A N -0.007 122.847 122.820 0.056 0.000 2.438 83 A HA 0.501 4.834 4.320 0.022 0.000 0.301 83 A C 0.445 178.004 177.584 -0.043 0.000 1.101 83 A CA -0.764 51.283 52.037 0.017 0.000 0.621 83 A CB 0.269 19.286 19.000 0.028 0.000 1.350 83 A HN 0.092 nan 8.150 nan 0.000 0.496 84 I N 0.812 121.350 120.570 -0.053 0.000 2.272 84 I HA 0.110 4.293 4.170 0.022 0.000 0.235 84 I C 1.926 177.998 176.117 -0.075 0.000 1.071 84 I CA 1.245 62.489 61.300 -0.094 0.000 1.374 84 I CB -0.802 37.147 38.000 -0.086 0.000 1.121 84 I HN 0.804 nan 8.210 nan 0.000 0.420 85 G N 0.647 109.422 108.800 -0.042 0.000 2.647 85 G HA2 0.126 4.099 3.960 0.022 0.000 0.234 85 G HA3 0.126 4.099 3.960 0.022 0.000 0.234 85 G C 0.636 175.521 174.900 -0.025 0.000 1.252 85 G CA 0.607 45.691 45.100 -0.027 0.000 0.846 85 G HN 0.503 nan 8.290 nan 0.000 0.589 86 T N -2.478 112.066 114.554 -0.017 0.000 3.130 86 T HA 0.062 4.425 4.350 0.022 0.000 0.288 86 T C 1.281 175.985 174.700 0.006 0.000 0.936 86 T CA 0.037 62.130 62.100 -0.012 0.000 0.897 86 T CB -0.108 68.744 68.868 -0.027 0.000 1.178 86 T HN 0.422 nan 8.240 nan 0.000 0.543 87 N N 2.816 121.527 118.700 0.018 0.000 2.453 87 N HA -0.105 4.648 4.740 0.022 0.000 0.183 87 N C 1.981 177.538 175.510 0.077 0.000 1.041 87 N CA 0.886 53.959 53.050 0.039 0.000 0.900 87 N CB -0.170 38.343 38.487 0.043 0.000 0.961 87 N HN 0.521 nan 8.380 nan 0.000 0.443 88 Q N 0.678 120.523 119.800 0.075 0.000 2.500 88 Q HA -0.028 4.325 4.340 0.022 0.000 0.213 88 Q C -0.090 175.977 176.000 0.112 0.000 0.974 88 Q CA 0.717 56.595 55.803 0.125 0.000 0.918 88 Q CB -0.050 28.649 28.738 -0.065 0.000 0.980 88 Q HN 0.168 nan 8.270 nan 0.000 0.505 89 V N 2.114 122.062 119.914 0.058 0.000 2.555 89 V HA 0.183 4.316 4.120 0.022 0.000 0.302 89 V C -0.409 175.699 176.094 0.023 0.000 1.038 89 V CA -0.945 61.375 62.300 0.035 0.000 0.887 89 V CB 1.845 33.674 31.823 0.010 0.000 0.991 89 V HN 0.056 nan 8.190 nan 0.000 0.434 90 D N 3.661 124.071 120.400 0.016 0.000 2.470 90 D HA 0.222 4.875 4.640 0.022 0.000 0.226 90 D C 1.104 177.400 176.300 -0.007 0.000 1.196 90 D CA 0.083 54.086 54.000 0.004 0.000 0.979 90 D CB 0.816 41.617 40.800 0.002 0.000 1.059 90 D HN 0.485 nan 8.370 nan 0.000 0.515 91 L N 2.136 123.353 121.223 -0.010 0.000 2.042 91 L HA -0.184 4.169 4.340 0.022 0.000 0.210 91 L C 1.633 178.495 176.870 -0.013 0.000 1.076 91 L CA 0.959 55.788 54.840 -0.018 0.000 0.749 91 L CB -0.136 41.910 42.059 -0.021 0.000 0.893 91 L HN 0.218 nan 8.230 nan 0.000 0.432 92 D N 0.180 120.572 120.400 -0.013 0.000 2.149 92 D HA -0.094 4.560 4.640 0.022 0.000 0.201 92 D C 2.257 178.549 176.300 -0.014 0.000 0.972 92 D CA 1.326 55.317 54.000 -0.016 0.000 0.835 92 D CB -0.088 40.702 40.800 -0.016 0.000 0.966 92 D HN 0.296 nan 8.370 nan 0.000 0.476 93 A N 1.258 124.070 122.820 -0.012 0.000 1.858 93 A HA -0.054 4.280 4.320 0.022 0.000 0.216 93 A C 2.337 179.914 177.584 -0.012 0.000 1.190 93 A CA 2.330 54.360 52.037 -0.013 0.000 0.617 93 A CB -0.952 18.040 19.000 -0.012 0.000 0.827 93 A HN 0.224 nan 8.150 nan 0.000 0.443 94 A N -0.156 122.656 122.820 -0.014 0.000 1.883 94 A HA 0.078 4.411 4.320 0.022 0.000 0.217 94 A C 2.506 180.103 177.584 0.022 0.000 1.186 94 A CA 2.435 54.462 52.037 -0.017 0.000 0.624 94 A CB -1.084 17.892 19.000 -0.040 0.000 0.822 94 A HN 1.165 nan 8.150 nan 0.000 0.444 95 A N -0.396 122.449 122.820 0.042 0.000 1.969 95 A HA -0.122 4.211 4.320 0.022 0.000 0.218 95 A C 2.040 179.630 177.584 0.009 0.000 1.169 95 A CA 1.618 53.703 52.037 0.080 0.000 0.635 95 A CB -0.364 18.642 19.000 0.010 0.000 0.810 95 A HN 0.563 nan 8.150 nan 0.000 0.445 96 K N -0.753 119.641 120.400 -0.010 0.000 2.365 96 K HA 0.021 4.354 4.320 0.022 0.000 0.199 96 K C 1.377 177.970 176.600 -0.012 0.000 1.045 96 K CA 0.594 56.867 56.287 -0.023 0.000 0.962 96 K CB 0.017 32.505 32.500 -0.021 0.000 0.759 96 K HN 0.313 nan 8.250 nan 0.000 0.469 97 R N 0.033 120.533 120.500 0.000 0.000 2.427 97 R HA 0.057 4.410 4.340 0.022 0.000 0.262 97 R C 0.413 176.722 176.300 0.015 0.000 0.943 97 R CA 0.337 56.434 56.100 -0.004 0.000 1.081 97 R CB 0.718 31.007 30.300 -0.019 0.000 1.166 97 R HN 0.314 nan 8.270 nan 0.000 0.534 98 G N 1.965 110.806 108.800 0.068 0.000 2.198 98 G HA2 -0.268 3.705 3.960 0.022 0.000 0.260 98 G HA3 -0.268 3.705 3.960 0.022 0.000 0.260 98 G C 0.067 175.040 174.900 0.120 0.000 1.025 98 G CA 0.034 45.242 45.100 0.179 0.000 0.769 98 G HN 0.288 nan 8.290 nan 0.000 0.507 99 I N 2.288 122.874 120.570 0.027 0.000 2.307 99 I HA 0.311 4.494 4.170 0.022 0.000 0.289 99 I C -1.753 174.129 176.117 -0.392 0.000 1.021 99 I CA -2.467 58.717 61.300 -0.193 0.000 1.224 99 I CB 1.689 39.608 38.000 -0.135 0.000 1.376 99 I HN -0.078 nan 8.210 nan 0.000 0.470 100 P HA 0.204 nan 4.420 nan 0.000 0.277 100 P C -0.685 176.163 177.300 -0.753 0.000 1.240 100 P CA -0.272 62.095 63.100 -1.222 0.000 0.798 100 P CB 1.856 32.402 31.700 -1.924 0.000 0.979 101 V N 3.305 122.829 119.914 -0.649 0.000 2.495 101 V HA 0.425 4.558 4.120 0.022 0.000 0.298 101 V C -0.186 175.556 176.094 -0.588 0.000 1.031 101 V CA -0.284 61.754 62.300 -0.437 0.000 0.871 101 V CB 0.854 32.550 31.823 -0.212 0.000 0.988 101 V HN 0.381 nan 8.190 nan 0.000 0.432 102 F N 4.233 124.100 119.950 -0.139 0.000 2.556 102 F HA 0.690 5.230 4.527 0.022 0.000 0.327 102 F C 0.448 176.171 175.800 -0.129 0.000 1.059 102 F CA -0.585 57.333 58.000 -0.136 0.000 0.953 102 F CB 2.028 40.937 39.000 -0.151 0.000 1.227 102 F HN 0.648 nan 8.300 nan 0.000 0.478 103 N N 0.499 119.233 118.700 0.056 0.000 3.387 103 N HA 0.725 5.478 4.740 0.022 0.000 0.322 103 N C -1.837 173.605 175.510 -0.113 0.000 1.588 103 N CA -0.950 52.067 53.050 -0.056 0.000 0.778 103 N CB 1.480 39.919 38.487 -0.079 0.000 1.883 103 N HN 0.566 nan 8.380 nan 0.000 0.628 104 A N 0.324 123.055 122.820 -0.150 0.000 3.030 104 A HA 0.470 4.804 4.320 0.022 0.000 0.335 104 A C -1.931 175.513 177.584 -0.233 0.000 1.089 104 A CA -1.175 50.762 52.037 -0.167 0.000 0.807 104 A CB 0.541 19.449 19.000 -0.152 0.000 1.099 104 A HN 0.568 nan 8.150 nan 0.000 0.474 105 P HA -0.077 nan 4.420 nan 0.000 0.217 105 P C 0.194 176.925 177.300 -0.949 0.000 1.150 105 P CA 1.341 63.988 63.100 -0.754 0.000 0.832 105 P CB -0.006 31.059 31.700 -1.058 0.000 0.787 106 F N -0.876 118.971 119.950 -0.172 0.000 2.841 106 F HA 0.283 4.824 4.527 0.024 0.000 0.358 106 F C 0.929 176.644 175.800 -0.142 0.000 1.261 106 F CA -0.225 57.633 58.000 -0.236 0.000 1.233 106 F CB -0.300 38.402 39.000 -0.496 0.000 1.008 106 F HN -0.250 nan 8.300 nan 0.000 0.507 107 S N 0.464 116.160 115.700 -0.008 0.000 2.583 107 S HA 0.093 4.576 4.470 0.022 0.000 0.239 107 S C 0.792 175.387 174.600 -0.007 0.000 0.966 107 S CA -0.308 57.886 58.200 -0.009 0.000 0.973 107 S CB -0.766 62.409 63.200 -0.041 0.000 0.794 107 S HN 0.669 nan 8.310 nan 0.000 0.463 108 N N -0.784 117.922 118.700 0.009 0.000 2.453 108 N HA -0.027 4.727 4.740 0.022 0.000 0.267 108 N C 0.910 176.435 175.510 0.026 0.000 1.482 108 N CA 0.176 53.233 53.050 0.012 0.000 0.841 108 N CB 0.062 38.556 38.487 0.010 0.000 1.408 108 N HN 0.169 nan 8.380 nan 0.000 0.490 109 T N -1.338 113.237 114.554 0.035 0.000 2.867 109 T HA -0.129 4.235 4.350 0.022 0.000 0.268 109 T C 1.944 176.646 174.700 0.003 0.000 1.057 109 T CA 0.865 62.986 62.100 0.035 0.000 1.136 109 T CB -0.078 68.825 68.868 0.058 0.000 0.874 109 T HN 0.103 nan 8.240 nan 0.000 0.466 110 R N 1.509 122.009 120.500 -0.001 0.000 2.081 110 R HA 0.090 4.443 4.340 0.022 0.000 0.235 110 R C 2.607 178.905 176.300 -0.004 0.000 1.131 110 R CA 1.743 57.836 56.100 -0.011 0.000 0.960 110 R CB -1.072 29.220 30.300 -0.013 0.000 0.856 110 R HN 0.432 nan 8.270 nan 0.000 0.436 111 S N -0.636 115.067 115.700 0.006 0.000 2.368 111 S HA -0.082 4.401 4.470 0.022 0.000 0.225 111 S C 1.859 176.474 174.600 0.024 0.000 1.030 111 S CA 1.325 59.533 58.200 0.014 0.000 0.999 111 S CB -0.184 63.027 63.200 0.018 0.000 0.844 111 S HN 0.155 nan 8.310 nan 0.000 0.459 112 V N 1.836 121.769 119.914 0.033 0.000 2.358 112 V HA -0.138 3.996 4.120 0.022 0.000 0.246 112 V C 2.593 178.711 176.094 0.040 0.000 1.047 112 V CA 1.552 63.886 62.300 0.057 0.000 1.035 112 V CB -1.181 30.698 31.823 0.093 0.000 0.658 112 V HN 0.517 nan 8.190 nan 0.000 0.452 113 A N -0.228 122.586 122.820 -0.011 0.000 1.858 113 A HA -0.246 4.088 4.320 0.022 0.000 0.216 113 A C 2.174 179.754 177.584 -0.006 0.000 1.190 113 A CA 1.887 53.900 52.037 -0.040 0.000 0.617 113 A CB -0.567 18.391 19.000 -0.070 0.000 0.827 113 A HN 0.581 nan 8.150 nan 0.000 0.443 114 E N -0.779 119.420 120.200 -0.002 0.000 2.086 114 E HA -0.260 4.103 4.350 0.022 0.000 0.200 114 E C 1.953 178.564 176.600 0.018 0.000 1.012 114 E CA 1.458 57.861 56.400 0.005 0.000 0.812 114 E CB -0.377 29.325 29.700 0.004 0.000 0.743 114 E HN 0.475 nan 8.360 nan 0.000 0.453 115 L N 0.792 122.031 121.223 0.026 0.000 2.042 115 L HA -0.186 4.167 4.340 0.022 0.000 0.210 115 L C 2.271 179.163 176.870 0.038 0.000 1.076 115 L CA 1.482 56.341 54.840 0.032 0.000 0.749 115 L CB -0.383 41.698 42.059 0.036 0.000 0.893 115 L HN -0.050 nan 8.230 nan 0.000 0.432 116 V N -0.578 119.368 119.914 0.054 0.000 2.453 116 V HA -0.241 3.892 4.120 0.022 0.000 0.247 116 V C 2.491 178.613 176.094 0.047 0.000 1.048 116 V CA 1.182 63.522 62.300 0.067 0.000 1.049 116 V CB -0.550 31.349 31.823 0.126 0.000 0.672 116 V HN 0.321 nan 8.190 nan 0.000 0.457 117 I N 1.479 122.068 120.570 0.032 0.000 2.076 117 I HA -0.204 3.980 4.170 0.022 0.000 0.237 117 I C 2.775 178.906 176.117 0.023 0.000 1.059 117 I CA 2.205 63.519 61.300 0.023 0.000 1.317 117 I CB -2.035 35.971 38.000 0.011 0.000 1.037 117 I HN 0.364 nan 8.210 nan 0.000 0.398 118 G N 0.339 109.151 108.800 0.021 0.000 2.545 118 G HA2 -0.279 3.694 3.960 0.022 0.000 0.222 118 G HA3 -0.279 3.694 3.960 0.022 0.000 0.222 118 G C 1.569 176.484 174.900 0.024 0.000 1.126 118 G CA 0.968 46.080 45.100 0.020 0.000 0.754 118 G HN 0.527 nan 8.290 nan 0.000 0.583 119 E N -0.146 120.070 120.200 0.027 0.000 2.230 119 E HA 0.008 4.371 4.350 0.022 0.000 0.192 119 E C 2.478 179.096 176.600 0.031 0.000 0.987 119 E CA 0.754 57.171 56.400 0.028 0.000 0.841 119 E CB -0.042 29.675 29.700 0.028 0.000 0.783 119 E HN 0.580 nan 8.360 nan 0.000 0.481 120 L N -1.370 119.874 121.223 0.034 0.000 2.270 120 L HA 0.046 4.399 4.340 0.022 0.000 0.210 120 L C 1.988 178.881 176.870 0.038 0.000 1.104 120 L CA 1.101 55.964 54.840 0.037 0.000 0.804 120 L CB -0.608 41.476 42.059 0.041 0.000 0.937 120 L HN -0.036 nan 8.230 nan 0.000 0.450 121 L N -0.360 120.883 121.223 0.033 0.000 1.994 121 L HA -0.155 4.198 4.340 0.022 0.000 0.208 121 L C 2.639 179.529 176.870 0.034 0.000 1.071 121 L CA 1.487 56.346 54.840 0.032 0.000 0.745 121 L CB -0.542 41.531 42.059 0.023 0.000 0.892 121 L HN 0.315 nan 8.230 nan 0.000 0.431 122 L N -0.878 120.363 121.223 0.028 0.000 2.044 122 L HA -0.201 4.152 4.340 0.022 0.000 0.205 122 L C 2.533 179.422 176.870 0.032 0.000 1.075 122 L CA 1.050 55.906 54.840 0.025 0.000 0.747 122 L CB -0.598 41.474 42.059 0.021 0.000 0.903 122 L HN 0.258 nan 8.230 nan 0.000 0.435 123 L N -0.135 121.109 121.223 0.036 0.000 2.081 123 L HA -0.258 4.095 4.340 0.022 0.000 0.212 123 L C 2.600 179.505 176.870 0.058 0.000 1.080 123 L CA 1.245 56.109 54.840 0.040 0.000 0.754 123 L CB -0.482 41.597 42.059 0.035 0.000 0.893 123 L HN 0.270 nan 8.230 nan 0.000 0.433 124 L N -0.603 120.662 121.223 0.070 0.000 2.127 124 L HA -0.186 4.168 4.340 0.022 0.000 0.211 124 L C 2.372 179.319 176.870 0.128 0.000 1.089 124 L CA 0.999 55.910 54.840 0.119 0.000 0.757 124 L CB -0.337 41.792 42.059 0.117 0.000 0.899 124 L HN 0.285 nan 8.230 nan 0.000 0.434 125 R N -0.094 120.445 120.500 0.066 0.000 2.334 125 R HA 0.179 4.533 4.340 0.022 0.000 0.216 125 R C 1.118 177.418 176.300 0.001 0.000 0.905 125 R CA 0.705 56.819 56.100 0.024 0.000 1.064 125 R CB -0.021 30.285 30.300 0.009 0.000 1.046 125 R HN 0.351 nan 8.270 nan 0.000 0.508 126 G N 1.223 110.035 108.800 0.019 0.000 2.249 126 G HA2 -0.258 3.715 3.960 0.022 0.000 0.273 126 G HA3 -0.258 3.715 3.960 0.022 0.000 0.273 126 G C 0.787 175.684 174.900 -0.005 0.000 1.036 126 G CA 0.488 45.593 45.100 0.009 0.000 0.824 126 G HN 0.233 nan 8.290 nan 0.000 0.504 127 V N 0.124 120.038 119.914 -0.000 0.000 2.649 127 V HA -0.047 4.086 4.120 0.022 0.000 0.248 127 V C 0.767 176.865 176.094 0.007 0.000 1.054 127 V CA 2.228 64.523 62.300 -0.007 0.000 1.073 127 V CB -0.379 31.442 31.823 -0.004 0.000 0.699 127 V HN 0.388 nan 8.190 nan 0.000 0.463 128 P HA -0.176 nan 4.420 nan 0.000 0.215 128 P C 1.634 178.954 177.300 0.033 0.000 1.157 128 P CA 1.440 64.556 63.100 0.028 0.000 0.863 128 P CB 0.106 31.828 31.700 0.037 0.000 0.787 129 E N -0.039 120.182 120.200 0.036 0.000 2.085 129 E HA -0.219 4.145 4.350 0.022 0.000 0.194 129 E C 1.893 178.507 176.600 0.023 0.000 0.994 129 E CA 1.567 57.990 56.400 0.039 0.000 0.801 129 E CB -0.681 29.043 29.700 0.040 0.000 0.743 129 E HN 0.088 nan 8.360 nan 0.000 0.453 130 A N 0.468 123.287 122.820 -0.002 0.000 1.968 130 A HA -0.152 4.181 4.320 0.022 0.000 0.217 130 A C 1.955 179.536 177.584 -0.005 0.000 1.169 130 A CA 1.489 53.505 52.037 -0.035 0.000 0.638 130 A CB -0.642 18.304 19.000 -0.089 0.000 0.812 130 A HN 0.383 nan 8.150 nan 0.000 0.446 131 N N 0.181 118.899 118.700 0.030 0.000 2.216 131 N HA -0.005 4.749 4.740 0.022 0.000 0.183 131 N C 1.662 177.274 175.510 0.171 0.000 1.017 131 N CA 1.635 54.744 53.050 0.098 0.000 0.861 131 N CB -0.276 38.255 38.487 0.073 0.000 0.986 131 N HN 0.298 nan 8.380 nan 0.000 0.428 132 A N 0.371 123.243 122.820 0.087 0.000 1.897 132 A HA -0.020 4.313 4.320 0.022 0.000 0.215 132 A C 2.111 179.762 177.584 0.112 0.000 1.181 132 A CA 1.077 53.161 52.037 0.078 0.000 0.620 132 A CB -0.418 18.607 19.000 0.042 0.000 0.821 132 A HN 0.289 nan 8.150 nan 0.000 0.443 133 K N -0.197 120.251 120.400 0.081 0.000 2.032 133 K HA -0.119 4.214 4.320 0.022 0.000 0.209 133 K C 2.150 178.805 176.600 0.092 0.000 1.048 133 K CA 1.371 57.701 56.287 0.072 0.000 0.927 133 K CB -0.302 32.222 32.500 0.041 0.000 0.712 133 K HN 0.433 nan 8.250 nan 0.000 0.441 134 A N 0.228 123.103 122.820 0.092 0.000 2.066 134 A HA -0.130 4.203 4.320 0.022 0.000 0.218 134 A C 1.330 178.940 177.584 0.043 0.000 1.157 134 A CA 1.246 53.329 52.037 0.076 0.000 0.670 134 A CB -0.560 18.460 19.000 0.033 0.000 0.804 134 A HN 0.309 nan 8.150 nan 0.000 0.453 135 H N -0.692 118.403 119.070 0.042 0.000 2.555 135 H HA 0.138 4.707 4.556 0.022 0.000 0.269 135 H C 1.367 176.719 175.328 0.040 0.000 0.988 135 H CA 0.818 56.890 56.048 0.040 0.000 1.178 135 H CB 0.144 29.925 29.762 0.032 0.000 1.373 135 H HN 0.415 nan 8.280 nan 0.000 0.588 136 R N -0.709 119.871 120.500 0.132 0.000 2.546 136 R HA 0.232 4.585 4.340 0.022 0.000 0.320 136 R C 0.635 176.977 176.300 0.070 0.000 1.021 136 R CA 0.469 56.623 56.100 0.089 0.000 1.088 136 R CB 0.970 31.317 30.300 0.078 0.000 1.278 136 R HN 0.361 nan 8.270 nan 0.000 0.557 137 G N 0.749 109.592 108.800 0.071 0.000 2.176 137 G HA2 -0.252 3.721 3.960 0.022 0.000 0.253 137 G HA3 -0.252 3.721 3.960 0.022 0.000 0.253 137 G C 0.107 175.068 174.900 0.102 0.000 0.979 137 G CA -0.052 45.090 45.100 0.071 0.000 0.641 137 G HN 0.150 nan 8.290 nan 0.000 0.530 138 V N 1.767 121.747 119.914 0.110 0.000 2.370 138 V HA 0.531 4.665 4.120 0.022 0.000 0.279 138 V C 0.274 176.480 176.094 0.185 0.000 1.029 138 V CA -0.862 61.516 62.300 0.131 0.000 0.870 138 V CB 1.450 33.326 31.823 0.089 0.000 0.984 138 V HN 0.320 nan 8.190 nan 0.000 0.451 139 W N 6.048 127.353 121.300 0.009 0.000 2.361 139 W HA 0.442 5.116 4.660 0.023 0.000 0.309 139 W C -0.409 176.116 176.519 0.009 0.000 1.122 139 W CA -0.534 56.815 57.345 0.007 0.000 1.208 139 W CB 1.449 30.909 29.460 0.001 0.000 1.246 139 W HN 0.584 nan 8.180 nan 0.000 0.490 140 N N 5.226 123.795 118.700 -0.219 0.000 2.752 140 N HA 0.059 4.812 4.740 0.022 0.000 0.260 140 N C -1.085 174.277 175.510 -0.246 0.000 1.562 140 N CA -0.188 52.784 53.050 -0.130 0.000 0.788 140 N CB 0.594 39.040 38.487 -0.069 0.000 1.192 140 N HN 0.353 nan 8.380 nan 0.000 0.503 141 K N 2.951 123.210 120.400 -0.235 0.000 2.285 141 K HA 0.388 4.722 4.320 0.022 0.000 0.286 141 K C -1.065 175.500 176.600 -0.058 0.000 1.072 141 K CA 0.033 56.212 56.287 -0.179 0.000 0.913 141 K CB 0.413 32.884 32.500 -0.048 0.000 1.067 141 K HN 0.396 nan 8.250 nan 0.000 0.479 142 L N 2.888 124.062 121.223 -0.081 0.000 2.506 142 L HA 0.354 4.707 4.340 0.022 0.000 0.257 142 L C 0.050 176.870 176.870 -0.083 0.000 0.964 142 L CA -0.463 54.341 54.840 -0.060 0.000 0.836 142 L CB 2.121 44.148 42.059 -0.055 0.000 1.384 142 L HN 0.755 nan 8.230 nan 0.000 0.410 143 A N 1.497 124.267 122.820 -0.083 0.000 1.993 143 A HA 0.498 4.831 4.320 0.022 0.000 0.207 143 A C 1.029 178.505 177.584 -0.179 0.000 1.224 143 A CA 0.730 52.696 52.037 -0.119 0.000 0.749 143 A CB -0.035 18.910 19.000 -0.092 0.000 0.884 143 A HN 0.730 nan 8.150 nan 0.000 0.467 144 A N -0.244 122.493 122.820 -0.138 0.000 2.583 144 A HA 0.387 4.720 4.320 0.022 0.000 0.249 144 A C 1.678 179.151 177.584 -0.185 0.000 1.035 144 A CA 0.993 52.942 52.037 -0.147 0.000 0.777 144 A CB -1.016 17.942 19.000 -0.070 0.000 0.942 144 A HN 2.169 nan 8.150 nan 0.000 0.516 145 G N 1.337 109.964 108.800 -0.288 0.000 2.225 145 G HA2 -0.202 3.771 3.960 0.022 0.000 0.254 145 G HA3 -0.202 3.771 3.960 0.022 0.000 0.254 145 G C 0.597 175.262 174.900 -0.392 0.000 0.988 145 G CA 0.624 45.596 45.100 -0.213 0.000 0.625 145 G HN 1.661 nan 8.290 nan 0.000 0.527 146 S N 0.193 115.565 115.700 -0.547 0.000 2.480 146 S HA 0.805 5.289 4.470 0.022 0.000 0.286 146 S C -0.561 173.662 174.600 -0.630 0.000 1.180 146 S CA -0.538 57.431 58.200 -0.386 0.000 1.075 146 S CB 0.386 63.462 63.200 -0.207 0.000 0.996 146 S HN 0.356 nan 8.310 nan 0.000 0.487 147 F N 1.613 121.563 119.950 -0.001 0.000 2.577 147 F HA 0.461 5.003 4.527 0.024 0.000 0.318 147 F C 0.590 176.392 175.800 0.003 0.000 1.065 147 F CA -1.030 56.972 58.000 0.004 0.000 0.929 147 F CB 1.361 40.366 39.000 0.008 0.000 1.237 147 F HN 0.471 nan 8.300 nan 0.000 0.468 148 E N 0.204 120.524 120.200 0.200 0.000 2.371 148 E HA 0.420 4.783 4.350 0.022 0.000 0.257 148 E C 0.303 176.969 176.600 0.111 0.000 1.134 148 E CA -0.063 56.406 56.400 0.115 0.000 0.919 148 E CB 1.078 30.826 29.700 0.080 0.000 1.025 148 E HN 0.723 nan 8.360 nan 0.000 0.438 149 A N 2.134 124.991 122.820 0.061 0.000 1.975 149 A HA -0.047 4.287 4.320 0.022 0.000 0.215 149 A C 1.269 178.858 177.584 0.009 0.000 1.170 149 A CA 0.329 52.388 52.037 0.037 0.000 0.656 149 A CB -0.124 18.889 19.000 0.021 0.000 0.821 149 A HN 0.574 nan 8.150 nan 0.000 0.449 150 R N -0.309 120.190 120.500 -0.002 0.000 2.585 150 R HA 0.270 4.623 4.340 0.022 0.000 0.275 150 R C 1.136 177.421 176.300 -0.025 0.000 1.018 150 R CA 1.104 57.179 56.100 -0.042 0.000 1.072 150 R CB -0.149 30.135 30.300 -0.027 0.000 0.953 150 R HN 0.863 nan 8.270 nan 0.000 0.419 151 G N 2.440 111.178 108.800 -0.103 0.000 2.184 151 G HA2 -0.248 3.726 3.960 0.022 0.000 0.264 151 G HA3 -0.248 3.726 3.960 0.022 0.000 0.264 151 G C -0.324 174.689 174.900 0.189 0.000 0.975 151 G CA 0.443 45.568 45.100 0.043 0.000 0.642 151 G HN 0.525 nan 8.290 nan 0.000 0.536 152 K N 0.640 121.095 120.400 0.091 0.000 2.087 152 K HA 0.545 4.878 4.320 0.022 0.000 0.255 152 K C 0.463 177.180 176.600 0.194 0.000 0.988 152 K CA -0.442 55.916 56.287 0.117 0.000 0.915 152 K CB 0.887 33.408 32.500 0.035 0.000 1.043 152 K HN 0.332 nan 8.250 nan 0.000 0.457 153 K N 1.724 122.250 120.400 0.209 0.000 2.240 153 K HA 0.306 4.639 4.320 0.022 0.000 0.271 153 K C -0.348 176.371 176.600 0.197 0.000 1.018 153 K CA -0.861 55.596 56.287 0.283 0.000 0.874 153 K CB 1.025 33.720 32.500 0.325 0.000 1.098 153 K HN 0.270 nan 8.250 nan 0.000 0.458 154 L N 1.311 122.647 121.223 0.189 0.000 2.296 154 L HA 0.482 4.835 4.340 0.022 0.000 0.286 154 L C -0.226 176.768 176.870 0.208 0.000 1.023 154 L CA 0.104 55.036 54.840 0.152 0.000 0.812 154 L CB 1.515 43.637 42.059 0.105 0.000 1.223 154 L HN 0.666 nan 8.230 nan 0.000 0.421 155 G N 6.243 115.155 108.800 0.187 0.000 2.347 155 G HA2 0.548 4.521 3.960 0.022 0.000 0.314 155 G HA3 0.548 4.521 3.960 0.022 0.000 0.314 155 G C -0.647 174.383 174.900 0.216 0.000 1.126 155 G CA -0.461 44.765 45.100 0.211 0.000 0.929 155 G HN 0.636 nan 8.290 nan 0.000 0.441 156 I N 3.179 123.916 120.570 0.279 0.000 2.304 156 I HA 0.237 4.420 4.170 0.022 0.000 0.291 156 I C 0.126 176.450 176.117 0.344 0.000 1.018 156 I CA -0.371 61.117 61.300 0.313 0.000 1.260 156 I CB 1.445 39.650 38.000 0.341 0.000 1.390 156 I HN 0.285 nan 8.210 nan 0.000 0.475 157 I N 6.706 127.450 120.570 0.291 0.000 2.281 157 I HA 0.419 4.602 4.170 0.022 0.000 0.293 157 I C 0.595 176.872 176.117 0.267 0.000 1.085 157 I CA -0.234 61.241 61.300 0.292 0.000 1.257 157 I CB 0.374 38.505 38.000 0.219 0.000 1.430 157 I HN 0.877 nan 8.210 nan 0.000 0.489 158 G N 5.024 113.987 108.800 0.271 0.000 2.662 158 G HA2 -0.233 3.740 3.960 0.022 0.000 0.558 158 G HA3 -0.233 3.740 3.960 0.022 0.000 0.558 158 G C -0.979 174.037 174.900 0.193 0.000 1.081 158 G CA -0.848 44.378 45.100 0.210 0.000 1.261 158 G HN 0.550 nan 8.290 nan 0.000 0.559 159 Y N 2.793 123.055 120.300 -0.062 0.000 2.849 159 Y HA 0.532 5.098 4.550 0.026 0.000 0.356 159 Y C 1.077 176.828 175.900 -0.247 0.000 1.236 159 Y CA 0.235 58.170 58.100 -0.274 0.000 1.508 159 Y CB 0.085 38.110 38.460 -0.726 0.000 1.619 159 Y HN 0.651 nan 8.280 nan 0.000 0.513 160 G N 0.311 108.967 108.800 -0.240 0.000 3.134 160 G HA2 0.041 4.014 3.960 0.022 0.000 0.158 160 G HA3 0.041 4.014 3.960 0.022 0.000 0.158 160 G C 0.309 174.978 174.900 -0.385 0.000 1.334 160 G CA -0.227 44.715 45.100 -0.262 0.000 1.001 160 G HN 0.514 nan 8.290 nan 0.000 0.600 161 H N -0.704 118.206 119.070 -0.265 0.000 2.353 161 H HA 0.070 4.641 4.556 0.024 0.000 0.300 161 H C 2.419 177.615 175.328 -0.220 0.000 1.090 161 H CA 1.696 57.590 56.048 -0.257 0.000 1.327 161 H CB 0.050 29.681 29.762 -0.218 0.000 1.383 161 H HN 0.199 nan 8.280 nan 0.000 0.508 162 I N -0.815 119.726 120.570 -0.048 0.000 2.429 162 I HA -0.040 4.143 4.170 0.022 0.000 0.247 162 I C 2.692 178.602 176.117 -0.345 0.000 1.099 162 I CA 0.858 62.064 61.300 -0.157 0.000 1.422 162 I CB -0.466 37.483 38.000 -0.086 0.000 1.112 162 I HN 0.329 nan 8.210 nan 0.000 0.430 163 G N 1.158 109.759 108.800 -0.333 0.000 2.442 163 G HA2 -0.313 3.661 3.960 0.022 0.000 0.219 163 G HA3 -0.313 3.661 3.960 0.022 0.000 0.219 163 G C 1.774 176.440 174.900 -0.389 0.000 1.141 163 G CA 1.758 46.680 45.100 -0.297 0.000 0.763 163 G HN 0.458 nan 8.290 nan 0.000 0.554 164 T N -1.809 112.344 114.554 -0.668 0.000 2.812 164 T HA -0.096 4.267 4.350 0.022 0.000 0.264 164 T C 2.245 176.728 174.700 -0.361 0.000 1.042 164 T CA 1.673 63.274 62.100 -0.831 0.000 1.140 164 T CB -0.280 68.031 68.868 -0.929 0.000 0.870 164 T HN 0.391 nan 8.240 nan 0.000 0.445 165 Q N -0.080 119.556 119.800 -0.273 0.000 2.245 165 Q HA 0.075 4.429 4.340 0.022 0.000 0.201 165 Q C 2.210 178.136 176.000 -0.123 0.000 0.955 165 Q CA 0.570 56.275 55.803 -0.165 0.000 0.870 165 Q CB -0.222 28.440 28.738 -0.127 0.000 0.945 165 Q HN 0.495 nan 8.270 nan 0.000 0.461 166 L N 0.258 121.391 121.223 -0.149 0.000 2.042 166 L HA -0.046 4.307 4.340 0.022 0.000 0.210 166 L C 2.059 178.905 176.870 -0.040 0.000 1.076 166 L CA 2.448 57.228 54.840 -0.100 0.000 0.749 166 L CB -1.127 40.843 42.059 -0.150 0.000 0.893 166 L HN 0.260 nan 8.230 nan 0.000 0.432 167 G N -0.085 108.705 108.800 -0.018 0.000 2.513 167 G HA2 -0.329 3.645 3.960 0.022 0.000 0.219 167 G HA3 -0.329 3.645 3.960 0.022 0.000 0.219 167 G C 1.618 176.523 174.900 0.008 0.000 1.160 167 G CA 1.586 46.715 45.100 0.049 0.000 0.767 167 G HN 0.509 nan 8.290 nan 0.000 0.571 168 I N 0.299 120.854 120.570 -0.025 0.000 2.133 168 I HA -0.082 4.101 4.170 0.022 0.000 0.238 168 I C 2.751 178.849 176.117 -0.031 0.000 1.074 168 I CA 0.579 61.861 61.300 -0.030 0.000 1.342 168 I CB -0.296 37.676 38.000 -0.046 0.000 1.053 168 I HN 0.100 nan 8.210 nan 0.000 0.404 169 L N 0.620 121.822 121.223 -0.034 0.000 2.089 169 L HA -0.289 4.064 4.340 0.022 0.000 0.213 169 L C 2.810 179.665 176.870 -0.025 0.000 1.079 169 L CA 1.590 56.413 54.840 -0.029 0.000 0.758 169 L CB -0.928 41.115 42.059 -0.028 0.000 0.891 169 L HN 0.318 nan 8.230 nan 0.000 0.433 170 A N -0.214 122.593 122.820 -0.021 0.000 1.898 170 A HA -0.182 4.151 4.320 0.022 0.000 0.216 170 A C 2.165 179.721 177.584 -0.046 0.000 1.181 170 A CA 1.409 53.433 52.037 -0.021 0.000 0.620 170 A CB -0.336 18.663 19.000 -0.001 0.000 0.819 170 A HN 0.467 nan 8.150 nan 0.000 0.442 171 E N 0.028 120.201 120.200 -0.046 0.000 2.072 171 E HA -0.108 4.255 4.350 0.022 0.000 0.191 171 E C 2.191 178.750 176.600 -0.068 0.000 0.985 171 E CA 1.167 57.526 56.400 -0.070 0.000 0.801 171 E CB -0.246 29.424 29.700 -0.051 0.000 0.750 171 E HN 0.541 nan 8.360 nan 0.000 0.452 172 S N 0.939 116.610 115.700 -0.047 0.000 2.402 172 S HA -0.136 4.347 4.470 0.022 0.000 0.233 172 S C 1.529 176.102 174.600 -0.045 0.000 1.030 172 S CA 0.868 59.044 58.200 -0.041 0.000 1.003 172 S CB -0.021 63.160 63.200 -0.031 0.000 0.813 172 S HN 0.091 nan 8.310 nan 0.000 0.477 173 L N 0.192 121.385 121.223 -0.050 0.000 2.592 173 L HA 0.324 4.677 4.340 0.022 0.000 0.227 173 L C 1.596 178.419 176.870 -0.079 0.000 1.127 173 L CA 0.566 55.377 54.840 -0.049 0.000 0.884 173 L CB -1.035 41.003 42.059 -0.034 0.000 1.065 173 L HN 0.396 nan 8.230 nan 0.000 0.457 174 G N -0.421 108.310 108.800 -0.115 0.000 2.160 174 G HA2 -0.296 3.677 3.960 0.022 0.000 0.244 174 G HA3 -0.296 3.677 3.960 0.022 0.000 0.244 174 G C 0.398 175.121 174.900 -0.294 0.000 1.022 174 G CA 0.191 45.177 45.100 -0.190 0.000 0.741 174 G HN 0.270 nan 8.290 nan 0.000 0.508 175 M N -0.516 118.948 119.600 -0.226 0.000 2.288 175 M HA 0.498 4.991 4.480 0.022 0.000 0.334 175 M C 0.189 176.298 176.300 -0.319 0.000 1.150 175 M CA -0.533 54.630 55.300 -0.228 0.000 1.118 175 M CB 0.672 33.226 32.600 -0.076 0.000 1.501 175 M HN 0.116 nan 8.290 nan 0.000 0.462 176 Y N 0.731 121.000 120.300 -0.050 0.000 2.336 176 Y HA 0.368 4.920 4.550 0.002 0.000 0.335 176 Y C -0.011 175.742 175.900 -0.245 0.000 1.046 176 Y CA -0.646 57.361 58.100 -0.154 0.000 1.198 176 Y CB 0.552 38.952 38.460 -0.100 0.000 1.182 176 Y HN 0.256 nan 8.280 nan 0.000 0.502 177 V N 5.304 125.081 119.914 -0.228 0.000 2.370 177 V HA 0.342 4.475 4.120 0.022 0.000 0.283 177 V C -0.847 175.030 176.094 -0.361 0.000 1.023 177 V CA -1.081 61.117 62.300 -0.170 0.000 0.857 177 V CB 0.154 31.966 31.823 -0.019 0.000 0.985 177 V HN 0.553 nan 8.190 nan 0.000 0.443 178 Y N 5.223 125.590 120.300 0.111 0.000 2.524 178 Y HA 0.839 5.398 4.550 0.015 0.000 0.344 178 Y C -0.215 175.757 175.900 0.119 0.000 1.012 178 Y CA -1.195 56.926 58.100 0.035 0.000 1.068 178 Y CB 2.110 40.564 38.460 -0.011 0.000 1.249 178 Y HN 0.677 nan 8.280 nan 0.000 0.468 179 F N 0.098 120.111 119.950 0.105 0.000 2.668 179 F HA 0.673 5.211 4.527 0.018 0.000 0.309 179 F C -2.339 173.521 175.800 0.100 0.000 1.117 179 F CA -1.856 56.172 58.000 0.048 0.000 0.951 179 F CB 1.491 40.392 39.000 -0.166 0.000 1.323 179 F HN 0.426 nan 8.300 nan 0.000 0.451 180 Y N 1.950 122.398 120.300 0.248 0.000 2.386 180 Y HA 0.588 5.149 4.550 0.019 0.000 0.334 180 Y C -1.829 174.219 175.900 0.247 0.000 1.002 180 Y CA -0.493 57.685 58.100 0.131 0.000 1.068 180 Y CB 1.406 39.898 38.460 0.052 0.000 1.203 180 Y HN 0.920 nan 8.280 nan 0.000 0.443 181 D N 5.109 125.215 120.400 -0.491 0.000 2.547 181 D HA 0.261 4.914 4.640 0.022 0.000 0.231 181 D C 0.772 176.672 176.300 -0.667 0.000 1.099 181 D CA -0.443 53.338 54.000 -0.365 0.000 0.901 181 D CB 2.012 42.817 40.800 0.008 0.000 1.478 181 D HN 0.783 nan 8.370 nan 0.000 0.471 182 I N -1.430 118.927 120.570 -0.356 0.000 2.928 182 I HA 0.217 4.400 4.170 0.022 0.000 0.266 182 I C 0.746 176.788 176.117 -0.125 0.000 1.234 182 I CA 0.420 61.587 61.300 -0.222 0.000 1.483 182 I CB 0.113 38.075 38.000 -0.065 0.000 1.097 182 I HN 0.120 nan 8.210 nan 0.000 0.455 183 E N 2.214 122.359 120.200 -0.093 0.000 2.214 183 E HA 0.248 4.611 4.350 0.022 0.000 0.274 183 E C -0.458 176.131 176.600 -0.020 0.000 0.977 183 E CA -0.777 55.599 56.400 -0.040 0.000 0.827 183 E CB 0.892 30.584 29.700 -0.014 0.000 1.130 183 E HN 0.208 nan 8.360 nan 0.000 0.394 184 N N 3.299 121.996 118.700 -0.004 0.000 2.483 184 N HA 0.060 4.813 4.740 0.022 0.000 0.264 184 N C -0.760 174.788 175.510 0.063 0.000 1.197 184 N CA 0.524 53.589 53.050 0.026 0.000 0.927 184 N CB 0.638 39.132 38.487 0.010 0.000 1.065 184 N HN 0.329 nan 8.380 nan 0.000 0.461 185 K N 1.525 122.005 120.400 0.133 0.000 2.444 185 K HA 0.364 4.697 4.320 0.022 0.000 0.252 185 K C -0.774 175.919 176.600 0.154 0.000 0.993 185 K CA -0.965 55.406 56.287 0.141 0.000 0.847 185 K CB 1.653 34.266 32.500 0.189 0.000 1.340 185 K HN 0.242 nan 8.250 nan 0.000 0.446 186 L N 3.625 124.915 121.223 0.112 0.000 2.268 186 L HA 0.292 4.645 4.340 0.022 0.000 0.289 186 L C -2.361 174.606 176.870 0.162 0.000 1.064 186 L CA -1.653 53.250 54.840 0.104 0.000 0.824 186 L CB 0.141 42.229 42.059 0.048 0.000 1.202 186 L HN 0.296 nan 8.230 nan 0.000 0.433 187 P HA 0.048 nan 4.420 nan 0.000 0.264 187 P C -0.650 176.747 177.300 0.163 0.000 1.183 187 P CA 0.268 63.498 63.100 0.218 0.000 0.763 187 P CB 0.400 32.199 31.700 0.166 0.000 0.807 188 L N 1.861 123.207 121.223 0.204 0.000 2.344 188 L HA 0.453 4.807 4.340 0.022 0.000 0.272 188 L C 1.676 178.595 176.870 0.082 0.000 1.035 188 L CA 0.054 54.958 54.840 0.107 0.000 0.807 188 L CB 0.959 43.049 42.059 0.052 0.000 1.237 188 L HN 0.714 nan 8.230 nan 0.000 0.442 189 G N 2.117 110.940 108.800 0.038 0.000 2.692 189 G HA2 -0.378 3.595 3.960 0.022 0.000 0.339 189 G HA3 -0.378 3.595 3.960 0.022 0.000 0.339 189 G C 0.586 175.502 174.900 0.027 0.000 1.226 189 G CA 0.689 45.803 45.100 0.022 0.000 0.979 189 G HN 0.750 nan 8.290 nan 0.000 0.549 190 N N 2.055 120.768 118.700 0.020 0.000 2.291 190 N HA 0.465 5.219 4.740 0.022 0.000 0.244 190 N C 0.637 176.145 175.510 -0.003 0.000 1.216 190 N CA 0.529 53.586 53.050 0.012 0.000 0.879 190 N CB 0.941 39.431 38.487 0.006 0.000 1.167 190 N HN 0.845 nan 8.380 nan 0.000 0.515 191 A N 0.675 123.515 122.820 0.034 0.000 2.425 191 A HA 0.448 4.782 4.320 0.022 0.000 0.242 191 A C 0.307 177.906 177.584 0.026 0.000 1.077 191 A CA 0.527 52.589 52.037 0.041 0.000 0.781 191 A CB 0.356 19.450 19.000 0.157 0.000 1.020 191 A HN 0.071 nan 8.150 nan 0.000 0.494 192 T N 1.812 116.322 114.554 -0.074 0.000 2.848 192 T HA 0.432 4.796 4.350 0.022 0.000 0.285 192 T C -0.335 174.062 174.700 -0.505 0.000 0.995 192 T CA -0.346 61.676 62.100 -0.130 0.000 0.970 192 T CB 1.354 70.237 68.868 0.025 0.000 0.976 192 T HN 0.742 nan 8.240 nan 0.000 0.441 193 Q N 2.212 121.583 119.800 -0.715 0.000 2.259 193 Q HA 0.574 4.927 4.340 0.022 0.000 0.249 193 Q C -1.216 174.507 176.000 -0.462 0.000 0.914 193 Q CA -0.509 54.620 55.803 -1.122 0.000 0.904 193 Q CB 0.766 29.033 28.738 -0.786 0.000 1.213 193 Q HN 0.465 nan 8.270 nan 0.000 0.428 194 V N 4.363 124.067 119.914 -0.350 0.000 2.495 194 V HA 0.100 4.233 4.120 0.022 0.000 0.298 194 V C 0.469 176.557 176.094 -0.010 0.000 1.031 194 V CA -0.714 61.507 62.300 -0.131 0.000 0.871 194 V CB 1.598 33.364 31.823 -0.095 0.000 0.988 194 V HN 0.887 nan 8.190 nan 0.000 0.432 195 Q N 1.751 121.509 119.800 -0.070 0.000 1.990 195 Q HA 0.013 4.366 4.340 0.022 0.000 0.200 195 Q C 0.674 176.593 176.000 -0.134 0.000 0.980 195 Q CA 1.503 57.223 55.803 -0.138 0.000 0.832 195 Q CB -0.045 28.504 28.738 -0.315 0.000 0.897 195 Q HN 0.742 nan 8.270 nan 0.000 0.427 196 H N 0.392 119.460 119.070 -0.002 0.000 2.502 196 H HA 0.044 4.613 4.556 0.021 0.000 0.327 196 H C 1.188 176.314 175.328 -0.338 0.000 1.099 196 H CA -0.414 55.556 56.048 -0.130 0.000 1.323 196 H CB 1.530 31.231 29.762 -0.101 0.000 1.450 196 H HN 0.047 nan 8.280 nan 0.000 0.502 197 L N 3.360 124.249 121.223 -0.557 0.000 2.046 197 L HA -0.228 4.126 4.340 0.022 0.000 0.208 197 L C 2.303 179.021 176.870 -0.252 0.000 1.077 197 L CA 1.940 56.405 54.840 -0.624 0.000 0.747 197 L CB -0.775 40.873 42.059 -0.686 0.000 0.896 197 L HN 0.716 nan 8.230 nan 0.000 0.432 198 S N -1.419 114.185 115.700 -0.161 0.000 2.420 198 S HA -0.216 4.267 4.470 0.022 0.000 0.237 198 S C 1.629 176.173 174.600 -0.094 0.000 1.023 198 S CA 1.395 59.532 58.200 -0.106 0.000 0.991 198 S CB -0.800 62.343 63.200 -0.096 0.000 0.792 198 S HN 0.564 nan 8.310 nan 0.000 0.488 199 D N 1.259 121.608 120.400 -0.085 0.000 2.137 199 D HA 0.076 4.730 4.640 0.022 0.000 0.202 199 D C 1.908 178.131 176.300 -0.128 0.000 0.970 199 D CA 0.622 54.565 54.000 -0.094 0.000 0.837 199 D CB -0.476 40.284 40.800 -0.066 0.000 0.981 199 D HN 0.348 nan 8.370 nan 0.000 0.475 200 L N 0.746 121.895 121.223 -0.123 0.000 2.012 200 L HA -0.178 4.175 4.340 0.022 0.000 0.210 200 L C 2.040 178.864 176.870 -0.076 0.000 1.073 200 L CA 1.326 56.104 54.840 -0.104 0.000 0.748 200 L CB -0.498 41.532 42.059 -0.048 0.000 0.891 200 L HN -0.069 nan 8.230 nan 0.000 0.431 201 L N -0.048 121.134 121.223 -0.069 0.000 2.079 201 L HA -0.212 4.141 4.340 0.022 0.000 0.210 201 L C 2.319 179.160 176.870 -0.048 0.000 1.081 201 L CA 1.458 56.271 54.840 -0.044 0.000 0.752 201 L CB -1.474 40.559 42.059 -0.044 0.000 0.896 201 L HN 0.369 nan 8.230 nan 0.000 0.433 202 N N -0.172 118.487 118.700 -0.068 0.000 2.188 202 N HA -0.141 4.612 4.740 0.022 0.000 0.184 202 N C 1.405 176.864 175.510 -0.084 0.000 1.018 202 N CA 1.439 54.448 53.050 -0.068 0.000 0.858 202 N CB -0.161 38.280 38.487 -0.076 0.000 0.989 202 N HN 0.477 nan 8.380 nan 0.000 0.426 203 M N -2.279 117.251 119.600 -0.117 0.000 2.484 203 M HA 0.402 4.896 4.480 0.022 0.000 0.307 203 M C -0.204 176.039 176.300 -0.094 0.000 1.149 203 M CA -0.259 54.960 55.300 -0.135 0.000 0.972 203 M CB 0.704 33.174 32.600 -0.216 0.000 1.400 203 M HN -0.331 nan 8.290 nan 0.000 0.508 204 S N 1.258 116.929 115.700 -0.049 0.000 2.508 204 S HA 0.312 4.796 4.470 0.022 0.000 0.284 204 S C 0.293 174.889 174.600 -0.007 0.000 1.192 204 S CA -0.774 57.435 58.200 0.015 0.000 1.070 204 S CB 1.221 64.447 63.200 0.042 0.000 1.004 204 S HN 0.308 nan 8.310 nan 0.000 0.493 205 D N 0.978 121.381 120.400 0.006 0.000 2.216 205 D HA 0.061 4.715 4.640 0.022 0.000 0.208 205 D C 0.209 176.497 176.300 -0.020 0.000 0.960 205 D CA 1.022 54.997 54.000 -0.041 0.000 0.861 205 D CB 0.336 41.096 40.800 -0.065 0.000 0.985 205 D HN 0.244 nan 8.370 nan 0.000 0.493 206 V N 1.470 121.396 119.914 0.021 0.000 2.604 206 V HA 0.345 4.478 4.120 0.022 0.000 0.305 206 V C -0.129 175.998 176.094 0.055 0.000 1.043 206 V CA -0.794 61.524 62.300 0.031 0.000 0.888 206 V CB 2.778 34.626 31.823 0.041 0.000 0.995 206 V HN -0.246 nan 8.190 nan 0.000 0.429 207 V N 3.097 123.038 119.914 0.046 0.000 2.448 207 V HA 0.647 4.780 4.120 0.022 0.000 0.295 207 V C -0.077 176.054 176.094 0.062 0.000 1.025 207 V CA -0.238 62.100 62.300 0.063 0.000 0.859 207 V CB 1.914 33.763 31.823 0.043 0.000 0.988 207 V HN 0.885 nan 8.190 nan 0.000 0.431 208 S N 5.464 121.225 115.700 0.101 0.000 2.532 208 S HA 0.758 5.242 4.470 0.022 0.000 0.299 208 S C -1.005 173.642 174.600 0.078 0.000 1.105 208 S CA -0.550 57.704 58.200 0.089 0.000 1.018 208 S CB 0.950 64.270 63.200 0.200 0.000 1.021 208 S HN 0.554 nan 8.310 nan 0.000 0.483 209 L N 5.572 126.717 121.223 -0.130 0.000 2.289 209 L HA 0.554 4.907 4.340 0.022 0.000 0.285 209 L C 0.025 176.612 176.870 -0.472 0.000 1.049 209 L CA -0.488 54.267 54.840 -0.143 0.000 0.804 209 L CB 0.995 42.984 42.059 -0.117 0.000 1.195 209 L HN 0.714 nan 8.230 nan 0.000 0.428 210 H N 3.544 122.651 119.070 0.061 0.000 2.511 210 H HA 0.293 4.863 4.556 0.022 0.000 0.228 210 H C -0.762 174.603 175.328 0.062 0.000 1.424 210 H CA -0.202 55.876 56.048 0.051 0.000 1.321 210 H CB 0.940 30.730 29.762 0.047 0.000 1.720 210 H HN 0.388 nan 8.280 nan 0.000 0.512 211 V N -0.667 119.303 119.914 0.094 0.000 2.881 211 V HA 0.645 4.778 4.120 0.022 0.000 0.316 211 V C -2.179 173.959 176.094 0.073 0.000 1.070 211 V CA -2.175 60.181 62.300 0.093 0.000 0.976 211 V CB 2.243 34.115 31.823 0.082 0.000 1.038 211 V HN 0.118 nan 8.190 nan 0.000 0.446 212 P HA 0.297 nan 4.420 nan 0.000 0.297 212 P C -0.877 176.451 177.300 0.047 0.000 1.303 212 P CA -0.379 62.761 63.100 0.066 0.000 0.753 212 P CB 0.750 32.496 31.700 0.076 0.000 1.281 213 E N 0.394 120.618 120.200 0.041 0.000 2.028 213 E HA 0.213 4.576 4.350 0.022 0.000 0.266 213 E C -0.549 176.072 176.600 0.035 0.000 0.962 213 E CA -0.500 55.920 56.400 0.034 0.000 0.784 213 E CB -0.474 29.244 29.700 0.031 0.000 1.114 213 E HN 0.429 nan 8.360 nan 0.000 0.414 214 N N 2.626 121.347 118.700 0.036 0.000 2.598 214 N HA 0.224 4.977 4.740 0.022 0.000 0.263 214 N C -2.476 173.055 175.510 0.035 0.000 1.254 214 N CA -1.738 51.333 53.050 0.035 0.000 0.863 214 N CB 1.862 40.372 38.487 0.037 0.000 1.586 214 N HN -0.064 nan 8.380 nan 0.000 0.491 215 P HA -0.318 nan 4.420 nan 0.000 0.221 215 P C 1.505 178.826 177.300 0.034 0.000 1.153 215 P CA 2.235 65.353 63.100 0.030 0.000 0.858 215 P CB -0.016 31.701 31.700 0.027 0.000 0.783 216 S N -2.154 113.570 115.700 0.040 0.000 2.489 216 S HA -0.063 4.421 4.470 0.022 0.000 0.228 216 S C 1.629 176.261 174.600 0.053 0.000 0.995 216 S CA 1.467 59.696 58.200 0.048 0.000 0.934 216 S CB -1.389 61.843 63.200 0.053 0.000 0.771 216 S HN 0.341 nan 8.310 nan 0.000 0.522 217 T N -2.086 112.497 114.554 0.047 0.000 3.023 217 T HA 0.317 4.680 4.350 0.022 0.000 0.253 217 T C 0.372 175.093 174.700 0.035 0.000 1.038 217 T CA -0.383 61.745 62.100 0.047 0.000 0.962 217 T CB -0.281 68.615 68.868 0.046 0.000 1.018 217 T HN 0.262 nan 8.240 nan 0.000 0.521 218 K N 2.750 123.169 120.400 0.032 0.000 2.436 218 K HA 0.120 4.453 4.320 0.022 0.000 0.282 218 K C 0.187 176.801 176.600 0.024 0.000 1.044 218 K CA 0.163 56.466 56.287 0.027 0.000 1.028 218 K CB -0.429 32.087 32.500 0.026 0.000 0.919 218 K HN 0.089 nan 8.250 nan 0.000 0.474 219 N N 3.195 121.908 118.700 0.020 0.000 2.710 219 N HA -0.273 4.480 4.740 0.022 0.000 0.249 219 N C 0.602 176.122 175.510 0.017 0.000 1.059 219 N CA 1.310 54.370 53.050 0.017 0.000 0.720 219 N CB -1.097 37.401 38.487 0.017 0.000 0.983 219 N HN 0.880 nan 8.380 nan 0.000 0.544 220 M N -1.427 118.186 119.600 0.021 0.000 2.108 220 M HA -0.090 4.403 4.480 0.022 0.000 0.261 220 M C 0.465 176.775 176.300 0.016 0.000 1.066 220 M CA 1.521 56.837 55.300 0.027 0.000 1.107 220 M CB 0.081 32.706 32.600 0.042 0.000 1.356 220 M HN 0.033 nan 8.290 nan 0.000 0.406 221 M N 2.522 122.128 119.600 0.010 0.000 2.497 221 M HA 0.308 4.801 4.480 0.022 0.000 0.336 221 M C 0.128 176.429 176.300 0.001 0.000 1.378 221 M CA -0.087 55.215 55.300 0.003 0.000 1.375 221 M CB -0.496 32.103 32.600 -0.001 0.000 1.337 221 M HN 0.307 nan 8.290 nan 0.000 0.461 222 G N 1.299 110.098 108.800 -0.002 0.000 2.552 222 G HA2 0.611 4.584 3.960 0.022 0.000 0.324 222 G HA3 0.611 4.584 3.960 0.022 0.000 0.324 222 G C 0.767 175.659 174.900 -0.013 0.000 1.217 222 G CA -0.116 44.982 45.100 -0.004 0.000 0.989 222 G HN 0.684 nan 8.290 nan 0.000 0.490 223 A N 0.393 123.204 122.820 -0.016 0.000 1.894 223 A HA -0.243 4.090 4.320 0.022 0.000 0.220 223 A C 2.325 179.882 177.584 -0.044 0.000 1.237 223 A CA 2.942 54.961 52.037 -0.030 0.000 0.660 223 A CB -0.717 18.267 19.000 -0.028 0.000 0.835 223 A HN 0.666 nan 8.150 nan 0.000 0.461 224 K N -0.217 120.161 120.400 -0.037 0.000 2.034 224 K HA -0.231 4.102 4.320 0.022 0.000 0.214 224 K C 1.768 178.343 176.600 -0.041 0.000 1.051 224 K CA 2.466 58.728 56.287 -0.041 0.000 0.931 224 K CB -0.499 31.982 32.500 -0.031 0.000 0.715 224 K HN 0.552 nan 8.250 nan 0.000 0.446 225 E N -0.287 119.895 120.200 -0.030 0.000 2.106 225 E HA -0.046 4.317 4.350 0.022 0.000 0.192 225 E C 1.988 178.580 176.600 -0.014 0.000 0.984 225 E CA 1.425 57.809 56.400 -0.025 0.000 0.806 225 E CB -0.061 29.627 29.700 -0.019 0.000 0.750 225 E HN 0.397 nan 8.360 nan 0.000 0.458 226 I N 0.420 120.983 120.570 -0.011 0.000 2.500 226 I HA -0.170 4.013 4.170 0.022 0.000 0.252 226 I C 1.980 178.105 176.117 0.014 0.000 1.142 226 I CA 0.865 62.177 61.300 0.019 0.000 1.451 226 I CB -0.282 37.727 38.000 0.015 0.000 1.093 226 I HN 0.098 nan 8.210 nan 0.000 0.430 227 S N 1.103 116.742 115.700 -0.101 0.000 2.493 227 S HA -0.087 4.396 4.470 0.022 0.000 0.243 227 S C 1.759 176.323 174.600 -0.060 0.000 0.991 227 S CA 0.885 58.950 58.200 -0.224 0.000 0.957 227 S CB -0.569 62.522 63.200 -0.182 0.000 0.756 227 S HN 0.460 nan 8.310 nan 0.000 0.521 228 L N -0.233 120.994 121.223 0.006 0.000 2.477 228 L HA 0.315 4.668 4.340 0.022 0.000 0.220 228 L C 1.048 177.954 176.870 0.059 0.000 1.106 228 L CA 0.006 54.858 54.840 0.019 0.000 0.851 228 L CB -0.256 41.790 42.059 -0.022 0.000 0.994 228 L HN 0.299 nan 8.230 nan 0.000 0.462 229 M N 0.677 120.348 119.600 0.119 0.000 2.226 229 M HA 0.128 4.621 4.480 0.022 0.000 0.324 229 M C 0.257 176.591 176.300 0.056 0.000 1.112 229 M CA 0.190 55.536 55.300 0.076 0.000 1.176 229 M CB 0.511 33.145 32.600 0.056 0.000 1.430 229 M HN -0.008 nan 8.290 nan 0.000 0.462 230 K N 0.910 121.268 120.400 -0.069 0.000 2.202 230 K HA 0.387 4.721 4.320 0.022 0.000 0.264 230 K C -2.664 173.733 176.600 -0.339 0.000 1.010 230 K CA -1.846 54.363 56.287 -0.131 0.000 0.940 230 K CB -0.505 31.933 32.500 -0.104 0.000 0.983 230 K HN 0.215 nan 8.250 nan 0.000 0.475 231 P HA -0.119 nan 4.420 nan 0.000 0.261 231 P C 0.693 177.847 177.300 -0.243 0.000 1.173 231 P CA 1.287 64.168 63.100 -0.364 0.000 0.760 231 P CB 0.202 31.823 31.700 -0.131 0.000 0.783 232 G N 1.837 110.503 108.800 -0.223 0.000 2.162 232 G HA2 -0.259 3.714 3.960 0.022 0.000 0.260 232 G HA3 -0.259 3.714 3.960 0.022 0.000 0.260 232 G C 0.451 175.284 174.900 -0.110 0.000 0.976 232 G CA 0.418 45.452 45.100 -0.109 0.000 0.655 232 G HN 0.781 nan 8.290 nan 0.000 0.533 233 S N -0.641 114.963 115.700 -0.159 0.000 2.641 233 S HA 0.779 5.262 4.470 0.022 0.000 0.261 233 S C 0.151 174.710 174.600 -0.067 0.000 1.257 233 S CA -0.398 57.737 58.200 -0.108 0.000 0.983 233 S CB 1.611 64.747 63.200 -0.107 0.000 0.990 233 S HN 0.810 nan 8.310 nan 0.000 0.572 234 L N 0.524 121.725 121.223 -0.037 0.000 2.401 234 L HA 0.622 4.975 4.340 0.022 0.000 0.266 234 L C -1.200 175.665 176.870 -0.008 0.000 0.991 234 L CA -0.956 53.873 54.840 -0.018 0.000 0.818 234 L CB 1.788 43.847 42.059 -0.001 0.000 1.321 234 L HN 0.580 nan 8.230 nan 0.000 0.413 235 L N 3.859 125.075 121.223 -0.011 0.000 2.333 235 L HA 0.657 5.010 4.340 0.022 0.000 0.280 235 L C -1.009 175.851 176.870 -0.016 0.000 1.004 235 L CA -0.007 54.828 54.840 -0.010 0.000 0.820 235 L CB 1.512 43.563 42.059 -0.013 0.000 1.247 235 L HN 0.412 nan 8.230 nan 0.000 0.416 236 I N 4.934 125.493 120.570 -0.019 0.000 2.436 236 I HA 0.398 4.581 4.170 0.022 0.000 0.289 236 I C -0.430 175.632 176.117 -0.093 0.000 1.010 236 I CA -0.376 60.901 61.300 -0.039 0.000 1.098 236 I CB 1.743 39.739 38.000 -0.007 0.000 1.266 236 I HN 0.644 nan 8.210 nan 0.000 0.434 237 N N 5.318 123.938 118.700 -0.133 0.000 2.569 237 N HA 0.520 5.273 4.740 0.022 0.000 0.254 237 N C -0.465 174.900 175.510 -0.241 0.000 1.004 237 N CA -0.179 52.751 53.050 -0.200 0.000 0.904 237 N CB 1.414 39.790 38.487 -0.185 0.000 1.165 237 N HN 0.758 nan 8.380 nan 0.000 0.513 238 A N 2.445 125.106 122.820 -0.265 0.000 2.701 238 A HA 0.203 4.536 4.320 0.022 0.000 0.297 238 A C 1.018 178.470 177.584 -0.219 0.000 1.197 238 A CA -0.283 51.625 52.037 -0.216 0.000 0.963 238 A CB -0.172 18.773 19.000 -0.092 0.000 1.175 238 A HN 0.652 nan 8.150 nan 0.000 0.531 239 S N 0.091 115.639 115.700 -0.253 0.000 2.566 239 S HA 0.452 4.935 4.470 0.022 0.000 0.166 239 S C 0.577 175.088 174.600 -0.149 0.000 0.811 239 S CA -0.172 57.929 58.200 -0.165 0.000 0.940 239 S CB 0.117 63.226 63.200 -0.151 0.000 0.768 239 S HN 0.345 nan 8.310 nan 0.000 0.534 240 R N 0.287 120.712 120.500 -0.125 0.000 2.744 240 R HA 0.521 4.874 4.340 0.022 0.000 0.279 240 R C 0.929 177.167 176.300 -0.102 0.000 0.977 240 R CA -0.170 55.869 56.100 -0.101 0.000 0.906 240 R CB 0.992 31.274 30.300 -0.029 0.000 1.197 240 R HN 0.598 nan 8.270 nan 0.000 0.463 241 G N 0.129 108.881 108.800 -0.081 0.000 2.586 241 G HA2 -0.203 3.770 3.960 0.022 0.000 0.215 241 G HA3 -0.203 3.770 3.960 0.022 0.000 0.215 241 G C 0.838 175.739 174.900 0.002 0.000 1.128 241 G CA 1.099 46.169 45.100 -0.048 0.000 0.774 241 G HN 0.643 nan 8.290 nan 0.000 0.543 242 T N -2.593 111.964 114.554 0.005 0.000 3.086 242 T HA 0.231 4.594 4.350 0.022 0.000 0.250 242 T C 1.901 176.606 174.700 0.008 0.000 1.074 242 T CA 0.245 62.356 62.100 0.019 0.000 0.988 242 T CB 0.732 69.616 68.868 0.026 0.000 0.988 242 T HN -0.028 nan 8.240 nan 0.000 0.530 243 V N 0.864 120.771 119.914 -0.012 0.000 2.649 243 V HA 0.177 4.311 4.120 0.022 0.000 0.248 243 V C 0.907 176.995 176.094 -0.010 0.000 1.054 243 V CA 0.537 62.830 62.300 -0.011 0.000 1.073 243 V CB 0.207 32.013 31.823 -0.028 0.000 0.699 243 V HN 0.396 nan 8.190 nan 0.000 0.463 244 V N 0.899 120.802 119.914 -0.018 0.000 2.448 244 V HA 0.333 4.466 4.120 0.022 0.000 0.295 244 V C -0.460 175.640 176.094 0.010 0.000 1.025 244 V CA -0.849 61.445 62.300 -0.010 0.000 0.859 244 V CB 1.719 33.526 31.823 -0.028 0.000 0.988 244 V HN 0.281 nan 8.190 nan 0.000 0.431 245 D N 4.738 125.146 120.400 0.014 0.000 2.357 245 D HA 0.036 4.689 4.640 0.022 0.000 0.265 245 D C 1.116 177.435 176.300 0.031 0.000 1.334 245 D CA -0.072 53.942 54.000 0.023 0.000 0.984 245 D CB 0.614 41.423 40.800 0.015 0.000 1.077 245 D HN 0.294 nan 8.370 nan 0.000 0.514 246 I N 5.562 126.163 120.570 0.052 0.000 2.252 246 I HA -0.134 4.049 4.170 0.022 0.000 0.245 246 I C -0.693 175.465 176.117 0.068 0.000 1.102 246 I CA 0.549 61.893 61.300 0.074 0.000 1.385 246 I CB -2.132 35.941 38.000 0.120 0.000 1.064 246 I HN 0.378 nan 8.210 nan 0.000 0.414 247 P HA -0.044 nan 4.420 nan 0.000 0.218 247 P C 1.654 178.978 177.300 0.040 0.000 1.149 247 P CA 1.515 64.647 63.100 0.054 0.000 0.817 247 P CB 0.035 31.759 31.700 0.041 0.000 0.785 248 A N -0.632 122.203 122.820 0.026 0.000 1.972 248 A HA -0.150 4.183 4.320 0.022 0.000 0.219 248 A C 2.064 179.651 177.584 0.005 0.000 1.169 248 A CA 1.329 53.373 52.037 0.011 0.000 0.635 248 A CB -1.478 17.524 19.000 0.003 0.000 0.810 248 A HN 0.193 nan 8.150 nan 0.000 0.446 249 L N -0.719 120.510 121.223 0.011 0.000 2.095 249 L HA 0.184 4.538 4.340 0.022 0.000 0.204 249 L C 2.573 179.416 176.870 -0.045 0.000 1.080 249 L CA 1.839 56.672 54.840 -0.012 0.000 0.759 249 L CB -0.828 41.229 42.059 -0.002 0.000 0.914 249 L HN 0.287 nan 8.230 nan 0.000 0.439 250 A N -0.059 122.771 122.820 0.016 0.000 1.869 250 A HA -0.292 4.041 4.320 0.022 0.000 0.218 250 A C 1.999 179.608 177.584 0.042 0.000 1.203 250 A CA 2.253 54.332 52.037 0.071 0.000 0.638 250 A CB -1.153 17.972 19.000 0.209 0.000 0.831 250 A HN 0.568 nan 8.150 nan 0.000 0.450 251 D N -0.079 120.352 120.400 0.051 0.000 2.158 251 D HA -0.098 4.555 4.640 0.022 0.000 0.197 251 D C 2.042 178.349 176.300 0.011 0.000 0.995 251 D CA 1.616 55.641 54.000 0.043 0.000 0.846 251 D CB -0.436 40.378 40.800 0.023 0.000 0.941 251 D HN 0.492 nan 8.370 nan 0.000 0.456 252 A N -0.070 122.738 122.820 -0.020 0.000 2.119 252 A HA -0.036 4.297 4.320 0.022 0.000 0.216 252 A C 1.978 179.535 177.584 -0.044 0.000 1.152 252 A CA 0.507 52.540 52.037 -0.007 0.000 0.708 252 A CB -0.110 18.897 19.000 0.012 0.000 0.805 252 A HN 0.102 nan 8.150 nan 0.000 0.460 253 L N -1.268 119.845 121.223 -0.185 0.000 2.202 253 L HA 0.216 4.569 4.340 0.022 0.000 0.205 253 L C 2.652 179.387 176.870 -0.226 0.000 1.083 253 L CA 1.660 56.269 54.840 -0.385 0.000 0.790 253 L CB -0.951 40.508 42.059 -0.999 0.000 0.942 253 L HN 0.349 nan 8.230 nan 0.000 0.452 254 A N -1.290 121.510 122.820 -0.033 0.000 2.123 254 A HA -0.038 4.296 4.320 0.022 0.000 0.214 254 A C 2.227 179.884 177.584 0.121 0.000 1.152 254 A CA 1.113 53.279 52.037 0.216 0.000 0.728 254 A CB -0.415 18.801 19.000 0.360 0.000 0.814 254 A HN 0.476 nan 8.150 nan 0.000 0.464 255 S N -0.524 115.219 115.700 0.072 0.000 2.558 255 S HA 0.056 4.539 4.470 0.022 0.000 0.217 255 S C 0.779 175.421 174.600 0.069 0.000 0.975 255 S CA 0.580 58.819 58.200 0.065 0.000 0.912 255 S CB -0.317 62.914 63.200 0.051 0.000 0.776 255 S HN 0.554 nan 8.310 nan 0.000 0.526 256 K N -0.492 119.940 120.400 0.054 0.000 3.341 256 K HA -0.318 4.015 4.320 0.022 0.000 0.305 256 K C 0.543 177.173 176.600 0.050 0.000 1.270 256 K CA 1.154 57.464 56.287 0.039 0.000 0.897 256 K CB -2.480 30.045 32.500 0.043 0.000 1.264 256 K HN 0.646 nan 8.250 nan 0.000 0.468 257 H N 0.638 119.695 119.070 -0.021 0.000 2.387 257 H HA 0.082 4.652 4.556 0.022 0.000 0.299 257 H C 0.725 176.035 175.328 -0.029 0.000 1.099 257 H CA 1.724 57.758 56.048 -0.022 0.000 1.315 257 H CB 0.239 29.986 29.762 -0.025 0.000 1.380 257 H HN 0.250 nan 8.280 nan 0.000 0.513 258 L N -0.243 120.966 121.223 -0.023 0.000 2.334 258 L HA 0.364 4.717 4.340 0.022 0.000 0.275 258 L C 1.217 178.047 176.870 -0.068 0.000 1.036 258 L CA -0.158 54.632 54.840 -0.082 0.000 0.807 258 L CB 1.719 43.749 42.059 -0.047 0.000 1.231 258 L HN 0.179 nan 8.230 nan 0.000 0.438 259 A N 1.985 124.772 122.820 -0.055 0.000 2.030 259 A HA 0.487 4.820 4.320 0.022 0.000 0.215 259 A C 0.833 178.407 177.584 -0.017 0.000 1.164 259 A CA 0.953 52.979 52.037 -0.017 0.000 0.697 259 A CB 0.036 19.046 19.000 0.016 0.000 0.827 259 A HN 0.867 nan 8.150 nan 0.000 0.457 260 G N -3.059 105.722 108.800 -0.032 0.000 2.430 260 G HA2 0.667 4.640 3.960 0.022 0.000 0.300 260 G HA3 0.667 4.640 3.960 0.022 0.000 0.300 260 G C -1.286 173.595 174.900 -0.031 0.000 1.330 260 G CA 0.145 45.229 45.100 -0.027 0.000 0.813 260 G HN 1.324 nan 8.290 nan 0.000 0.487 261 A N -1.699 121.114 122.820 -0.013 0.000 2.601 261 A HA 1.010 5.344 4.320 0.022 0.000 0.291 261 A C -0.962 176.631 177.584 0.015 0.000 1.075 261 A CA 0.236 52.269 52.037 -0.007 0.000 0.671 261 A CB 1.198 20.183 19.000 -0.024 0.000 1.277 261 A HN 2.518 nan 8.150 nan 0.000 0.417 262 A N 1.128 123.952 122.820 0.005 0.000 2.446 262 A HA 0.704 5.037 4.320 0.022 0.000 0.282 262 A C -1.035 176.532 177.584 -0.029 0.000 1.102 262 A CA -0.158 51.885 52.037 0.009 0.000 0.737 262 A CB 0.358 19.364 19.000 0.009 0.000 1.212 262 A HN 0.783 nan 8.150 nan 0.000 0.434 263 I N 1.881 122.438 120.570 -0.022 0.000 2.465 263 I HA 0.334 4.518 4.170 0.022 0.000 0.291 263 I C 0.227 176.210 176.117 -0.222 0.000 1.014 263 I CA -0.293 60.914 61.300 -0.156 0.000 1.093 263 I CB 2.349 40.256 38.000 -0.155 0.000 1.267 263 I HN 0.821 nan 8.210 nan 0.000 0.431 264 D N 3.720 123.889 120.400 -0.384 0.000 2.473 264 D HA 0.107 4.761 4.640 0.022 0.000 0.230 264 D C -0.244 175.746 176.300 -0.517 0.000 1.097 264 D CA 0.517 54.341 54.000 -0.293 0.000 0.861 264 D CB 0.911 41.601 40.800 -0.184 0.000 1.114 264 D HN 0.259 nan 8.370 nan 0.000 0.500 265 V N -1.056 118.361 119.914 -0.828 0.000 2.735 265 V HA 0.742 4.875 4.120 0.022 0.000 0.310 265 V C -0.861 174.734 176.094 -0.832 0.000 1.061 265 V CA -0.955 60.941 62.300 -0.672 0.000 0.913 265 V CB 1.466 32.999 31.823 -0.483 0.000 1.005 265 V HN -0.106 nan 8.190 nan 0.000 0.428 266 F N 1.376 121.353 119.950 0.045 0.000 2.613 266 F HA 0.682 5.223 4.527 0.023 0.000 0.314 266 F C -1.882 173.967 175.800 0.081 0.000 1.075 266 F CA -2.216 55.839 58.000 0.092 0.000 0.945 266 F CB 1.754 40.863 39.000 0.183 0.000 1.310 266 F HN 0.291 nan 8.300 nan 0.000 0.467 267 P HA -0.060 nan 4.420 nan 0.000 0.215 267 P C -0.132 177.263 177.300 0.158 0.000 1.157 267 P CA 1.615 64.808 63.100 0.154 0.000 0.868 267 P CB 0.079 31.851 31.700 0.120 0.000 0.788 268 T N 0.391 115.052 114.554 0.178 0.000 2.856 268 T HA 0.432 4.795 4.350 0.022 0.000 0.283 268 T C -0.472 174.345 174.700 0.195 0.000 1.008 268 T CA -0.658 61.530 62.100 0.148 0.000 0.997 268 T CB 1.859 70.780 68.868 0.088 0.000 0.992 268 T HN -0.064 nan 8.240 nan 0.000 0.454 269 E N 2.043 122.351 120.200 0.180 0.000 2.248 269 E HA 0.387 4.750 4.350 0.022 0.000 0.267 269 E C -2.558 174.123 176.600 0.135 0.000 0.877 269 E CA -2.283 54.237 56.400 0.200 0.000 0.759 269 E CB 1.344 31.197 29.700 0.254 0.000 1.182 269 E HN 0.333 nan 8.360 nan 0.000 0.418 270 P HA -0.152 nan 4.420 nan 0.000 0.257 270 P C 0.177 177.519 177.300 0.070 0.000 1.153 270 P CA 0.400 63.555 63.100 0.091 0.000 0.762 270 P CB 0.480 32.237 31.700 0.095 0.000 0.743 271 A N 3.170 126.025 122.820 0.058 0.000 1.978 271 A HA -0.023 4.310 4.320 0.022 0.000 0.220 271 A C 1.179 178.785 177.584 0.038 0.000 1.170 271 A CA 2.064 54.133 52.037 0.053 0.000 0.636 271 A CB -0.609 18.423 19.000 0.054 0.000 0.810 271 A HN 0.637 nan 8.150 nan 0.000 0.448 272 T N -5.670 108.902 114.554 0.031 0.000 2.696 272 T HA 0.367 4.730 4.350 0.022 0.000 0.291 272 T C 0.106 174.816 174.700 0.017 0.000 1.095 272 T CA -0.251 61.859 62.100 0.017 0.000 1.026 272 T CB 0.611 69.486 68.868 0.012 0.000 1.390 272 T HN -0.043 nan 8.240 nan 0.000 0.513 273 N N 0.147 118.852 118.700 0.008 0.000 2.521 273 N HA 0.163 4.916 4.740 0.022 0.000 0.188 273 N C 1.321 176.838 175.510 0.013 0.000 1.146 273 N CA 0.421 53.476 53.050 0.008 0.000 0.893 273 N CB -0.142 38.346 38.487 0.001 0.000 0.975 273 N HN 0.520 nan 8.380 nan 0.000 0.451 274 S N -0.332 115.376 115.700 0.014 0.000 2.511 274 S HA 0.110 4.593 4.470 0.022 0.000 0.214 274 S C 0.140 174.752 174.600 0.019 0.000 0.997 274 S CA -0.245 57.963 58.200 0.014 0.000 0.908 274 S CB 0.670 63.875 63.200 0.008 0.000 0.803 274 S HN 0.242 nan 8.310 nan 0.000 0.504 275 D N 3.314 123.729 120.400 0.025 0.000 2.304 275 D HA 0.258 4.911 4.640 0.022 0.000 0.247 275 D C -2.446 173.879 176.300 0.043 0.000 1.089 275 D CA -1.249 52.768 54.000 0.029 0.000 0.910 275 D CB 0.719 41.538 40.800 0.031 0.000 1.199 275 D HN 0.119 nan 8.370 nan 0.000 0.426 276 P HA 0.153 nan 4.420 nan 0.000 0.280 276 P C -0.735 176.602 177.300 0.062 0.000 1.244 276 P CA -0.413 62.710 63.100 0.038 0.000 0.784 276 P CB 0.376 32.077 31.700 0.000 0.000 0.913 277 F N 2.819 122.730 119.950 -0.066 0.000 2.404 277 F HA 0.527 5.068 4.527 0.022 0.000 0.345 277 F C -0.146 175.587 175.800 -0.111 0.000 1.110 277 F CA 0.074 58.007 58.000 -0.111 0.000 1.130 277 F CB 1.326 40.239 39.000 -0.144 0.000 1.129 277 F HN 0.288 nan 8.300 nan 0.000 0.500 278 T N 4.598 118.539 114.554 -1.022 0.000 2.952 278 T HA 0.617 4.980 4.350 0.022 0.000 0.305 278 T C -1.521 172.629 174.700 -0.916 0.000 1.064 278 T CA -0.370 61.239 62.100 -0.818 0.000 1.008 278 T CB 0.977 69.630 68.868 -0.358 0.000 1.078 278 T HN 0.944 nan 8.240 nan 0.000 0.459 279 S N 4.013 119.314 115.700 -0.665 0.000 2.556 279 S HA 0.559 5.042 4.470 0.022 0.000 0.280 279 S C -2.475 172.039 174.600 -0.144 0.000 1.141 279 S CA -0.923 57.058 58.200 -0.365 0.000 0.883 279 S CB 1.657 64.636 63.200 -0.367 0.000 1.103 279 S HN 0.540 nan 8.310 nan 0.000 0.453 280 P HA 0.169 nan 4.420 nan 0.000 0.233 280 P C 1.136 178.520 177.300 0.139 0.000 1.167 280 P CA 0.457 63.577 63.100 0.034 0.000 0.770 280 P CB -0.009 31.735 31.700 0.073 0.000 0.837 281 L N -1.057 120.291 121.223 0.209 0.000 2.478 281 L HA 0.056 4.410 4.340 0.022 0.000 0.223 281 L C 2.264 179.314 176.870 0.299 0.000 1.140 281 L CA 0.619 55.685 54.840 0.377 0.000 0.842 281 L CB -0.871 41.391 42.059 0.338 0.000 0.953 281 L HN -0.059 nan 8.230 nan 0.000 0.452 282 A N 1.010 123.916 122.820 0.143 0.000 2.186 282 A HA -0.202 4.132 4.320 0.022 0.000 0.219 282 A C 2.046 179.644 177.584 0.023 0.000 1.159 282 A CA 1.636 53.735 52.037 0.103 0.000 0.680 282 A CB -0.441 18.571 19.000 0.020 0.000 0.787 282 A HN 0.673 nan 8.150 nan 0.000 0.467 283 E N -1.771 118.370 120.200 -0.097 0.000 2.474 283 E HA 0.167 4.530 4.350 0.022 0.000 0.195 283 E C -0.721 175.663 176.600 -0.360 0.000 1.039 283 E CA -0.496 55.748 56.400 -0.261 0.000 0.881 283 E CB -0.100 29.366 29.700 -0.389 0.000 0.970 283 E HN 0.502 nan 8.360 nan 0.000 0.486 284 F N 1.947 121.925 119.950 0.046 0.000 2.385 284 F HA 0.241 4.782 4.527 0.023 0.000 0.360 284 F C 0.822 176.650 175.800 0.047 0.000 1.122 284 F CA -1.011 57.016 58.000 0.045 0.000 1.090 284 F CB 1.460 40.491 39.000 0.052 0.000 1.150 284 F HN -0.163 nan 8.300 nan 0.000 0.472 285 D N 1.146 121.660 120.400 0.190 0.000 2.264 285 D HA -0.140 4.514 4.640 0.022 0.000 0.208 285 D C 1.521 177.898 176.300 0.128 0.000 0.966 285 D CA 0.952 55.028 54.000 0.128 0.000 0.864 285 D CB -0.058 40.795 40.800 0.088 0.000 0.933 285 D HN 0.499 nan 8.370 nan 0.000 0.499 286 N N 0.733 119.527 118.700 0.156 0.000 2.421 286 N HA -0.039 4.714 4.740 0.022 0.000 0.201 286 N C -0.204 175.357 175.510 0.085 0.000 1.198 286 N CA 0.069 53.179 53.050 0.100 0.000 0.838 286 N CB 0.418 38.952 38.487 0.078 0.000 1.011 286 N HN -0.070 nan 8.380 nan 0.000 0.463 287 V N 1.164 121.154 119.914 0.126 0.000 2.495 287 V HA 0.377 4.511 4.120 0.022 0.000 0.298 287 V C 0.090 176.251 176.094 0.111 0.000 1.031 287 V CA -0.902 61.465 62.300 0.111 0.000 0.871 287 V CB 2.190 34.109 31.823 0.160 0.000 0.988 287 V HN 0.068 nan 8.190 nan 0.000 0.432 288 L N 5.548 126.822 121.223 0.085 0.000 2.276 288 L HA 0.549 4.902 4.340 0.022 0.000 0.286 288 L C -0.659 176.276 176.870 0.108 0.000 1.061 288 L CA -0.155 54.732 54.840 0.078 0.000 0.807 288 L CB 1.013 43.102 42.059 0.050 0.000 1.177 288 L HN 0.421 nan 8.230 nan 0.000 0.429 289 L N 3.439 124.732 121.223 0.117 0.000 2.356 289 L HA 0.648 5.001 4.340 0.022 0.000 0.277 289 L C -0.313 176.598 176.870 0.068 0.000 0.996 289 L CA -0.483 54.456 54.840 0.166 0.000 0.822 289 L CB 2.108 44.285 42.059 0.197 0.000 1.256 289 L HN 0.591 nan 8.230 nan 0.000 0.413 290 T N -0.738 113.877 114.554 0.101 0.000 2.916 290 T HA 0.459 4.823 4.350 0.022 0.000 0.298 290 T C -2.775 171.970 174.700 0.075 0.000 1.031 290 T CA -2.100 60.023 62.100 0.039 0.000 0.993 290 T CB 2.092 70.980 68.868 0.034 0.000 1.045 290 T HN 0.296 nan 8.240 nan 0.000 0.454 291 P HA 0.144 nan 4.420 nan 0.000 0.230 291 P C 0.154 177.554 177.300 0.168 0.000 1.791 291 P CA 0.174 63.295 63.100 0.036 0.000 1.020 291 P CB -1.319 30.358 31.700 -0.038 0.000 1.977 292 H N 1.805 120.922 119.070 0.078 0.000 2.506 292 H HA -0.165 4.404 4.556 0.022 0.000 0.323 292 H C 0.324 175.666 175.328 0.023 0.000 1.076 292 H CA -0.086 55.989 56.048 0.046 0.000 1.108 292 H CB -0.973 28.832 29.762 0.072 0.000 1.569 292 H HN 0.428 nan 8.280 nan 0.000 0.399 293 I N -2.594 118.082 120.570 0.177 0.000 4.025 293 I HA 0.354 4.538 4.170 0.022 0.000 0.336 293 I C 2.166 178.340 176.117 0.095 0.000 1.390 293 I CA 0.156 61.525 61.300 0.115 0.000 1.099 293 I CB 0.439 38.478 38.000 0.064 0.000 1.049 293 I HN 0.307 nan 8.210 nan 0.000 0.394 294 G N 2.064 110.919 108.800 0.092 0.000 2.596 294 G HA2 -0.270 3.703 3.960 0.022 0.000 0.223 294 G HA3 -0.270 3.703 3.960 0.022 0.000 0.223 294 G C 1.378 176.318 174.900 0.067 0.000 1.120 294 G CA 1.148 46.283 45.100 0.060 0.000 0.752 294 G HN 0.593 nan 8.290 nan 0.000 0.596 295 G N -0.817 108.035 108.800 0.086 0.000 3.393 295 G HA2 0.351 4.324 3.960 0.022 0.000 0.255 295 G HA3 0.351 4.324 3.960 0.022 0.000 0.255 295 G C 0.429 175.357 174.900 0.047 0.000 1.097 295 G CA 0.294 45.431 45.100 0.061 0.000 0.780 295 G HN 0.275 nan 8.290 nan 0.000 0.540 296 S N 1.716 117.446 115.700 0.050 0.000 3.729 296 S HA 0.417 4.901 4.470 0.022 0.000 0.235 296 S C 0.427 175.045 174.600 0.031 0.000 1.367 296 S CA -0.406 57.818 58.200 0.039 0.000 0.907 296 S CB 0.186 63.410 63.200 0.040 0.000 1.471 296 S HN 0.526 nan 8.310 nan 0.000 0.476 297 T N -0.642 113.926 114.554 0.023 0.000 2.926 297 T HA 0.414 4.777 4.350 0.022 0.000 0.289 297 T C 0.844 175.552 174.700 0.013 0.000 1.054 297 T CA -0.861 61.249 62.100 0.017 0.000 1.015 297 T CB 1.104 69.976 68.868 0.008 0.000 1.167 297 T HN 0.045 nan 8.240 nan 0.000 0.526 298 Q N 0.316 120.126 119.800 0.015 0.000 2.079 298 Q HA -0.048 4.305 4.340 0.022 0.000 0.200 298 Q C 1.975 177.923 176.000 -0.087 0.000 0.974 298 Q CA 1.670 57.478 55.803 0.009 0.000 0.840 298 Q CB -0.442 28.329 28.738 0.055 0.000 0.898 298 Q HN 0.775 nan 8.270 nan 0.000 0.430 299 E N 0.996 121.159 120.200 -0.061 0.000 2.038 299 E HA -0.132 4.231 4.350 0.022 0.000 0.195 299 E C 1.903 178.441 176.600 -0.103 0.000 1.000 299 E CA 1.488 57.837 56.400 -0.085 0.000 0.803 299 E CB -0.513 29.160 29.700 -0.044 0.000 0.750 299 E HN 0.364 nan 8.360 nan 0.000 0.448 300 A N 0.901 123.685 122.820 -0.059 0.000 1.908 300 A HA -0.261 4.072 4.320 0.022 0.000 0.218 300 A C 2.100 179.649 177.584 -0.058 0.000 1.181 300 A CA 1.553 53.562 52.037 -0.045 0.000 0.627 300 A CB -0.501 18.490 19.000 -0.014 0.000 0.818 300 A HN 0.129 nan 8.150 nan 0.000 0.445 301 Q N -0.664 119.100 119.800 -0.060 0.000 2.170 301 Q HA -0.194 4.159 4.340 0.022 0.000 0.203 301 Q C 2.004 177.920 176.000 -0.139 0.000 0.976 301 Q CA 1.677 57.464 55.803 -0.027 0.000 0.858 301 Q CB -0.302 28.468 28.738 0.053 0.000 0.907 301 Q HN 0.932 nan 8.270 nan 0.000 0.433 302 E N 0.268 120.196 120.200 -0.454 0.000 2.152 302 E HA -0.145 4.218 4.350 0.022 0.000 0.192 302 E C 1.234 177.726 176.600 -0.181 0.000 0.983 302 E CA 0.602 56.657 56.400 -0.574 0.000 0.818 302 E CB 0.217 29.424 29.700 -0.822 0.000 0.758 302 E HN 0.245 nan 8.360 nan 0.000 0.467 303 N N 1.011 119.634 118.700 -0.128 0.000 2.142 303 N HA -0.119 4.634 4.740 0.022 0.000 0.186 303 N C 2.005 177.481 175.510 -0.057 0.000 1.023 303 N CA 1.127 54.134 53.050 -0.073 0.000 0.852 303 N CB -0.243 38.209 38.487 -0.057 0.000 0.998 303 N HN 0.292 nan 8.380 nan 0.000 0.424 304 I N 0.502 121.047 120.570 -0.042 0.000 2.252 304 I HA -0.127 4.056 4.170 0.022 0.000 0.245 304 I C 2.358 178.444 176.117 -0.051 0.000 1.102 304 I CA 1.128 62.395 61.300 -0.054 0.000 1.385 304 I CB -0.646 37.353 38.000 -0.001 0.000 1.064 304 I HN 0.144 nan 8.210 nan 0.000 0.414 305 G N 0.884 109.763 108.800 0.132 0.000 2.450 305 G HA2 -0.220 3.753 3.960 0.022 0.000 0.220 305 G HA3 -0.220 3.753 3.960 0.022 0.000 0.220 305 G C 1.724 176.715 174.900 0.152 0.000 1.130 305 G CA 0.618 45.914 45.100 0.327 0.000 0.760 305 G HN 0.249 nan 8.290 nan 0.000 0.557 306 L N -0.551 120.687 121.223 0.026 0.000 2.068 306 L HA 0.097 4.451 4.340 0.022 0.000 0.204 306 L C 2.804 179.622 176.870 -0.087 0.000 1.076 306 L CA 1.088 55.916 54.840 -0.020 0.000 0.753 306 L CB -0.222 41.820 42.059 -0.027 0.000 0.910 306 L HN 0.237 nan 8.230 nan 0.000 0.439 307 E N -0.258 119.868 120.200 -0.122 0.000 2.017 307 E HA -0.197 4.167 4.350 0.022 0.000 0.193 307 E C 2.137 178.584 176.600 -0.255 0.000 0.997 307 E CA 1.801 58.108 56.400 -0.155 0.000 0.804 307 E CB 0.099 29.719 29.700 -0.133 0.000 0.757 307 E HN 0.249 nan 8.360 nan 0.000 0.448 308 V N 1.233 120.895 119.914 -0.421 0.000 2.427 308 V HA -0.209 3.924 4.120 0.022 0.000 0.248 308 V C 2.425 178.197 176.094 -0.536 0.000 1.051 308 V CA 1.583 63.498 62.300 -0.643 0.000 1.048 308 V CB -0.752 30.366 31.823 -1.174 0.000 0.666 308 V HN 0.344 nan 8.190 nan 0.000 0.456 309 A N 0.958 123.576 122.820 -0.336 0.000 1.877 309 A HA -0.099 4.235 4.320 0.022 0.000 0.216 309 A C 2.475 179.976 177.584 -0.140 0.000 1.186 309 A CA 1.998 54.034 52.037 -0.002 0.000 0.620 309 A CB -1.400 17.674 19.000 0.123 0.000 0.822 309 A HN 0.508 nan 8.150 nan 0.000 0.443 310 G N -0.459 108.250 108.800 -0.152 0.000 2.505 310 G HA2 -0.309 3.665 3.960 0.022 0.000 0.220 310 G HA3 -0.309 3.665 3.960 0.022 0.000 0.220 310 G C 1.695 176.465 174.900 -0.217 0.000 1.145 310 G CA 1.298 46.306 45.100 -0.154 0.000 0.761 310 G HN 0.563 nan 8.290 nan 0.000 0.571 311 K N -0.428 119.786 120.400 -0.310 0.000 2.147 311 K HA 0.104 4.437 4.320 0.022 0.000 0.205 311 K C 2.547 178.779 176.600 -0.614 0.000 1.049 311 K CA 0.595 56.575 56.287 -0.511 0.000 0.936 311 K CB -0.192 31.916 32.500 -0.653 0.000 0.722 311 K HN 0.306 nan 8.250 nan 0.000 0.446 312 L N 0.406 121.393 121.223 -0.394 0.000 2.072 312 L HA -0.142 4.211 4.340 0.022 0.000 0.205 312 L C 2.217 178.960 176.870 -0.213 0.000 1.079 312 L CA 0.953 55.658 54.840 -0.225 0.000 0.752 312 L CB -0.264 41.748 42.059 -0.079 0.000 0.906 312 L HN 0.141 nan 8.230 nan 0.000 0.436 313 I N -0.303 120.124 120.570 -0.239 0.000 2.252 313 I HA -0.284 3.899 4.170 0.022 0.000 0.245 313 I C 2.524 178.595 176.117 -0.076 0.000 1.102 313 I CA 1.305 62.480 61.300 -0.209 0.000 1.385 313 I CB -0.252 37.660 38.000 -0.147 0.000 1.064 313 I HN 0.172 nan 8.210 nan 0.000 0.414 314 K N -0.065 120.288 120.400 -0.079 0.000 2.063 314 K HA -0.262 4.071 4.320 0.022 0.000 0.208 314 K C 2.243 178.882 176.600 0.064 0.000 1.048 314 K CA 1.907 58.182 56.287 -0.020 0.000 0.928 314 K CB -0.437 32.030 32.500 -0.055 0.000 0.713 314 K HN 0.274 nan 8.250 nan 0.000 0.442 315 Y N 1.412 121.674 120.300 -0.064 0.000 2.200 315 Y HA -0.206 4.357 4.550 0.022 0.000 0.290 315 Y C 2.706 178.696 175.900 0.150 0.000 1.137 315 Y CA 1.497 59.639 58.100 0.069 0.000 1.163 315 Y CB -0.499 38.023 38.460 0.103 0.000 0.988 315 Y HN -0.015 nan 8.280 nan 0.000 0.518 316 S N -0.189 115.570 115.700 0.097 0.000 2.359 316 S HA -0.194 4.289 4.470 0.022 0.000 0.224 316 S C 1.623 176.267 174.600 0.072 0.000 1.035 316 S CA 2.027 60.280 58.200 0.088 0.000 1.018 316 S CB -0.478 62.735 63.200 0.022 0.000 0.876 316 S HN 0.602 nan 8.310 nan 0.000 0.448 317 D N 0.652 121.107 120.400 0.092 0.000 2.323 317 D HA 0.072 4.725 4.640 0.022 0.000 0.209 317 D C 1.190 177.586 176.300 0.160 0.000 0.973 317 D CA 0.992 55.069 54.000 0.127 0.000 0.874 317 D CB -0.084 40.770 40.800 0.090 0.000 0.930 317 D HN 0.791 nan 8.370 nan 0.000 0.521 318 N N -2.536 116.240 118.700 0.126 0.000 1.938 318 N HA 0.089 4.842 4.740 0.022 0.000 0.225 318 N C 1.135 176.720 175.510 0.124 0.000 1.400 318 N CA 0.626 53.786 53.050 0.182 0.000 0.772 318 N CB 0.392 38.967 38.487 0.146 0.000 1.124 318 N HN -0.044 nan 8.380 nan 0.000 0.513 319 G N 0.123 108.951 108.800 0.047 0.000 2.162 319 G HA2 -0.313 3.660 3.960 0.022 0.000 0.260 319 G HA3 -0.313 3.660 3.960 0.022 0.000 0.260 319 G C 0.030 175.178 174.900 0.414 0.000 0.976 319 G CA 0.354 45.513 45.100 0.098 0.000 0.655 319 G HN 0.728 nan 8.290 nan 0.000 0.533 320 S N 0.547 116.442 115.700 0.326 0.000 2.544 320 S HA 0.424 4.907 4.470 0.022 0.000 0.290 320 S C 1.531 176.427 174.600 0.493 0.000 1.276 320 S CA 1.341 59.728 58.200 0.311 0.000 1.075 320 S CB 0.433 63.737 63.200 0.174 0.000 0.849 320 S HN 1.179 nan 8.310 nan 0.000 0.494 321 T N 3.543 118.353 114.554 0.426 0.000 3.182 321 T HA 0.236 4.599 4.350 0.022 0.000 0.277 321 T C 0.271 175.160 174.700 0.314 0.000 1.013 321 T CA -0.554 61.788 62.100 0.403 0.000 0.900 321 T CB -0.217 68.829 68.868 0.298 0.000 1.098 321 T HN 0.482 nan 8.240 nan 0.000 0.543 322 L N 3.413 124.793 121.223 0.261 0.000 2.628 322 L HA 0.266 4.619 4.340 0.022 0.000 0.274 322 L C 1.085 178.109 176.870 0.256 0.000 1.209 322 L CA 1.746 56.701 54.840 0.191 0.000 0.930 322 L CB -0.059 42.079 42.059 0.132 0.000 1.183 322 L HN 0.733 nan 8.230 nan 0.000 0.492 323 S N 2.062 117.869 115.700 0.177 0.000 2.931 323 S HA -0.188 4.295 4.470 0.022 0.000 0.271 323 S C 0.361 175.026 174.600 0.108 0.000 1.309 323 S CA 0.435 58.728 58.200 0.154 0.000 1.181 323 S CB -2.276 61.023 63.200 0.165 0.000 1.435 323 S HN 1.936 nan 8.310 nan 0.000 0.670 324 A N 0.990 123.786 122.820 -0.040 0.000 2.462 324 A HA 0.657 4.990 4.320 0.022 0.000 0.243 324 A C 1.446 178.910 177.584 -0.200 0.000 1.076 324 A CA 0.087 51.842 52.037 -0.470 0.000 0.773 324 A CB 0.734 19.259 19.000 -0.792 0.000 1.010 324 A HN 1.690 nan 8.150 nan 0.000 0.493 325 V N -0.258 119.533 119.914 -0.206 0.000 3.660 325 V HA 0.123 4.256 4.120 0.022 0.000 0.276 325 V C 0.729 176.786 176.094 -0.062 0.000 1.317 325 V CA 1.070 63.313 62.300 -0.096 0.000 1.097 325 V CB -0.659 31.110 31.823 -0.089 0.000 0.863 325 V HN 0.926 nan 8.190 nan 0.000 0.438 326 N N -1.315 117.351 118.700 -0.057 0.000 2.160 326 N HA 0.262 5.015 4.740 0.022 0.000 0.226 326 N C -0.737 174.814 175.510 0.069 0.000 1.256 326 N CA -0.247 52.801 53.050 -0.003 0.000 0.890 326 N CB 0.679 39.162 38.487 -0.006 0.000 1.116 326 N HN 0.484 nan 8.380 nan 0.000 0.517 327 F N 0.962 120.806 119.950 -0.175 0.000 2.613 327 F HA 0.566 5.106 4.527 0.022 0.000 0.310 327 F C -2.368 173.375 175.800 -0.094 0.000 1.085 327 F CA -1.956 55.941 58.000 -0.170 0.000 0.945 327 F CB 2.056 40.885 39.000 -0.285 0.000 1.298 327 F HN -0.249 nan 8.300 nan 0.000 0.455 328 P HA 0.078 nan 4.420 nan 0.000 0.263 328 P C -1.301 176.103 177.300 0.173 0.000 1.195 328 P CA 0.193 63.308 63.100 0.024 0.000 0.762 328 P CB 0.359 32.044 31.700 -0.026 0.000 0.799 329 E N 1.505 121.771 120.200 0.110 0.000 2.229 329 E HA 0.395 4.758 4.350 0.022 0.000 0.283 329 E C -0.706 175.877 176.600 -0.028 0.000 1.030 329 E CA -0.463 55.997 56.400 0.100 0.000 0.836 329 E CB 0.826 30.577 29.700 0.084 0.000 1.068 329 E HN 0.122 nan 8.360 nan 0.000 0.401 330 V N 2.476 122.347 119.914 -0.072 0.000 2.851 330 V HA 0.465 4.599 4.120 0.022 0.000 0.307 330 V C -0.908 175.029 176.094 -0.261 0.000 1.129 330 V CA -0.579 61.414 62.300 -0.511 0.000 0.932 330 V CB 2.220 33.765 31.823 -0.463 0.000 1.024 330 V HN 0.784 nan 8.190 nan 0.000 0.426 331 S N 4.776 120.252 115.700 -0.375 0.000 2.537 331 S HA 0.859 5.342 4.470 0.022 0.000 0.271 331 S C -2.055 172.601 174.600 0.094 0.000 1.148 331 S CA -0.653 57.520 58.200 -0.046 0.000 0.868 331 S CB 2.089 65.320 63.200 0.053 0.000 1.115 331 S HN 0.733 nan 8.310 nan 0.000 0.461 332 L N 2.591 123.872 121.223 0.098 0.000 2.438 332 L HA 0.740 5.093 4.340 0.022 0.000 0.270 332 L C -2.547 174.337 176.870 0.023 0.000 0.972 332 L CA -1.718 53.189 54.840 0.112 0.000 0.831 332 L CB 1.758 43.880 42.059 0.105 0.000 1.273 332 L HN 0.666 nan 8.230 nan 0.000 0.405 333 P HA 0.190 nan 4.420 nan 0.000 0.271 333 P C -0.941 176.184 177.300 -0.291 0.000 1.216 333 P CA -0.321 62.662 63.100 -0.195 0.000 0.776 333 P CB 0.493 32.006 31.700 -0.310 0.000 0.881 334 L N 4.347 125.458 121.223 -0.186 0.000 2.295 334 L HA 0.173 4.526 4.340 0.022 0.000 0.288 334 L C 1.492 178.320 176.870 -0.071 0.000 1.079 334 L CA 0.522 55.333 54.840 -0.049 0.000 0.830 334 L CB -0.499 41.557 42.059 -0.004 0.000 1.200 334 L HN 0.435 nan 8.230 nan 0.000 0.438 335 H N 1.679 120.806 119.070 0.094 0.000 2.356 335 H HA 0.415 4.985 4.556 0.022 0.000 0.306 335 H C 0.062 175.433 175.328 0.072 0.000 1.142 335 H CA 0.305 56.390 56.048 0.061 0.000 1.673 335 H CB 0.619 30.407 29.762 0.042 0.000 1.505 335 H HN 0.295 nan 8.280 nan 0.000 0.638 336 V N -0.305 119.745 119.914 0.227 0.000 3.158 336 V HA 0.533 4.667 4.120 0.022 0.000 0.315 336 V C 0.836 177.001 176.094 0.118 0.000 1.148 336 V CA 0.022 62.404 62.300 0.137 0.000 1.042 336 V CB 1.334 33.210 31.823 0.089 0.000 1.101 336 V HN 0.880 nan 8.190 nan 0.000 0.448 337 G N 3.314 112.161 108.800 0.079 0.000 2.629 337 G HA2 -0.226 3.747 3.960 0.022 0.000 0.335 337 G HA3 -0.226 3.747 3.960 0.022 0.000 0.335 337 G C -0.115 174.805 174.900 0.033 0.000 1.347 337 G CA 0.509 45.636 45.100 0.044 0.000 0.979 337 G HN 0.779 nan 8.290 nan 0.000 0.534 338 R N 0.259 120.718 120.500 -0.068 0.000 2.589 338 R HA 0.631 4.984 4.340 0.022 0.000 0.293 338 R C 0.009 176.124 176.300 -0.310 0.000 0.963 338 R CA -0.998 54.997 56.100 -0.175 0.000 0.905 338 R CB 1.678 31.922 30.300 -0.093 0.000 1.144 338 R HN 0.608 nan 8.270 nan 0.000 0.459 339 R N 1.877 122.021 120.500 -0.593 0.000 2.346 339 R HA 0.536 4.889 4.340 0.022 0.000 0.311 339 R C -0.926 175.208 176.300 -0.277 0.000 0.983 339 R CA -0.277 55.510 56.100 -0.520 0.000 0.880 339 R CB 0.616 30.357 30.300 -0.933 0.000 1.100 339 R HN 0.466 nan 8.270 nan 0.000 0.453 340 L N 4.334 125.481 121.223 -0.126 0.000 2.350 340 L HA 0.672 5.026 4.340 0.022 0.000 0.260 340 L C -0.679 176.222 176.870 0.052 0.000 1.015 340 L CA -0.779 54.058 54.840 -0.004 0.000 0.821 340 L CB 2.112 44.221 42.059 0.083 0.000 1.370 340 L HN 0.699 nan 8.230 nan 0.000 0.416 341 M N -0.180 119.499 119.600 0.131 0.000 2.550 341 M HA 0.692 5.185 4.480 0.022 0.000 0.292 341 M C -1.213 175.293 176.300 0.343 0.000 1.221 341 M CA -0.660 54.780 55.300 0.233 0.000 0.873 341 M CB 2.291 35.084 32.600 0.322 0.000 1.727 341 M HN 0.530 nan 8.290 nan 0.000 0.459 342 H N 0.691 119.940 119.070 0.299 0.000 3.149 342 H HA 0.686 5.255 4.556 0.022 0.000 0.334 342 H C -2.293 173.239 175.328 0.340 0.000 1.000 342 H CA -0.473 55.751 56.048 0.292 0.000 1.415 342 H CB 1.250 31.173 29.762 0.268 0.000 1.819 342 H HN 0.804 nan 8.280 nan 0.000 0.486 343 I N 6.535 127.139 120.570 0.057 0.000 2.412 343 I HA 0.353 4.536 4.170 0.022 0.000 0.296 343 I C -0.172 175.850 176.117 -0.158 0.000 0.987 343 I CA -0.289 60.985 61.300 -0.043 0.000 1.180 343 I CB 1.139 39.138 38.000 -0.003 0.000 1.340 343 I HN 0.685 nan 8.210 nan 0.000 0.455 344 H N 2.786 121.874 119.070 0.029 0.000 2.948 344 H HA 0.467 5.037 4.556 0.022 0.000 0.315 344 H C -1.361 173.987 175.328 0.034 0.000 1.360 344 H CA -1.087 54.985 56.048 0.041 0.000 1.125 344 H CB 0.790 30.684 29.762 0.220 0.000 1.844 344 H HN 0.439 nan 8.280 nan 0.000 0.529 345 E N 0.901 121.245 120.200 0.241 0.000 2.373 345 E HA -0.034 4.329 4.350 0.022 0.000 0.267 345 E C -0.114 176.631 176.600 0.242 0.000 1.032 345 E CA -0.325 56.167 56.400 0.152 0.000 0.889 345 E CB 0.706 30.462 29.700 0.094 0.000 0.984 345 E HN 0.336 nan 8.360 nan 0.000 0.425 346 N N 3.699 122.485 118.700 0.144 0.000 2.807 346 N HA 0.002 4.756 4.740 0.022 0.000 0.259 346 N C -1.227 174.336 175.510 0.088 0.000 1.149 346 N CA -0.162 52.974 53.050 0.143 0.000 1.042 346 N CB -0.071 38.461 38.487 0.075 0.000 1.367 346 N HN 0.427 nan 8.380 nan 0.000 0.516 347 R N 1.361 121.910 120.500 0.081 0.000 2.740 347 R HA 0.658 5.012 4.340 0.022 0.000 0.273 347 R C -2.853 173.456 176.300 0.015 0.000 0.998 347 R CA -1.646 54.477 56.100 0.039 0.000 0.900 347 R CB 0.073 30.392 30.300 0.031 0.000 1.223 347 R HN 0.093 nan 8.270 nan 0.000 0.466 348 P HA 0.110 nan 4.420 nan 0.000 0.268 348 P C 0.563 177.850 177.300 -0.022 0.000 1.208 348 P CA 1.282 64.379 63.100 -0.004 0.000 0.777 348 P CB 0.607 32.307 31.700 -0.000 0.000 0.875 349 G N -0.300 108.481 108.800 -0.033 0.000 2.234 349 G HA2 -0.290 3.683 3.960 0.022 0.000 0.235 349 G HA3 -0.290 3.683 3.960 0.022 0.000 0.235 349 G C 0.971 175.826 174.900 -0.075 0.000 0.997 349 G CA 0.217 45.291 45.100 -0.042 0.000 0.623 349 G HN 0.396 nan 8.290 nan 0.000 0.514 350 V N 0.930 120.774 119.914 -0.117 0.000 2.244 350 V HA -0.054 4.079 4.120 0.022 0.000 0.244 350 V C 2.655 178.613 176.094 -0.226 0.000 1.042 350 V CA 2.343 64.516 62.300 -0.212 0.000 1.006 350 V CB -0.664 30.924 31.823 -0.391 0.000 0.641 350 V HN 0.393 nan 8.190 nan 0.000 0.446 351 L N 0.142 121.251 121.223 -0.190 0.000 2.043 351 L HA -0.199 4.155 4.340 0.022 0.000 0.212 351 L C 2.506 179.336 176.870 -0.067 0.000 1.075 351 L CA 2.534 57.308 54.840 -0.110 0.000 0.752 351 L CB -0.929 41.109 42.059 -0.034 0.000 0.891 351 L HN 0.398 nan 8.230 nan 0.000 0.432 352 T N -0.625 113.896 114.554 -0.055 0.000 2.833 352 T HA -0.141 4.222 4.350 0.022 0.000 0.269 352 T C 1.840 176.513 174.700 -0.044 0.000 1.054 352 T CA 1.164 63.243 62.100 -0.034 0.000 1.135 352 T CB -0.414 68.438 68.868 -0.028 0.000 0.869 352 T HN 0.511 nan 8.240 nan 0.000 0.466 353 A N 1.015 123.792 122.820 -0.071 0.000 1.968 353 A HA 0.126 4.459 4.320 0.022 0.000 0.217 353 A C 2.190 179.717 177.584 -0.096 0.000 1.169 353 A CA 0.855 52.846 52.037 -0.078 0.000 0.638 353 A CB -0.579 18.371 19.000 -0.083 0.000 0.812 353 A HN 0.414 nan 8.150 nan 0.000 0.446 354 L N 0.610 121.762 121.223 -0.118 0.000 2.027 354 L HA -0.115 4.238 4.340 0.022 0.000 0.206 354 L C 1.721 178.602 176.870 0.019 0.000 1.074 354 L CA 2.437 57.210 54.840 -0.112 0.000 0.745 354 L CB -0.865 41.086 42.059 -0.180 0.000 0.898 354 L HN 0.465 nan 8.230 nan 0.000 0.433 355 N N -0.687 118.047 118.700 0.058 0.000 2.309 355 N HA -0.210 4.543 4.740 0.022 0.000 0.182 355 N C 1.677 177.252 175.510 0.107 0.000 1.018 355 N CA 0.897 54.036 53.050 0.148 0.000 0.876 355 N CB -0.107 38.427 38.487 0.079 0.000 0.972 355 N HN 0.341 nan 8.380 nan 0.000 0.434 356 K N 1.601 122.010 120.400 0.015 0.000 2.211 356 K HA -0.019 4.314 4.320 0.022 0.000 0.203 356 K C 1.660 178.224 176.600 -0.059 0.000 1.050 356 K CA 0.768 57.048 56.287 -0.011 0.000 0.945 356 K CB 0.016 32.498 32.500 -0.031 0.000 0.732 356 K HN 0.139 nan 8.250 nan 0.000 0.451 357 I N 0.138 120.615 120.570 -0.154 0.000 2.454 357 I HA -0.244 3.939 4.170 0.022 0.000 0.254 357 I C 1.376 177.253 176.117 -0.399 0.000 1.156 357 I CA 1.246 62.344 61.300 -0.336 0.000 1.433 357 I CB -0.125 37.548 38.000 -0.545 0.000 1.082 357 I HN 0.165 nan 8.210 nan 0.000 0.432 358 F N -0.060 119.880 119.950 -0.017 0.000 2.317 358 F HA 0.124 4.664 4.527 0.022 0.000 0.290 358 F C 2.589 178.383 175.800 -0.010 0.000 1.075 358 F CA 0.670 58.663 58.000 -0.012 0.000 1.380 358 F CB -0.571 38.421 39.000 -0.013 0.000 1.093 358 F HN -0.110 nan 8.300 nan 0.000 0.524 359 A N 0.584 123.503 122.820 0.166 0.000 1.917 359 A HA -0.259 4.074 4.320 0.022 0.000 0.219 359 A C 1.979 179.592 177.584 0.048 0.000 1.182 359 A CA 2.117 54.205 52.037 0.086 0.000 0.633 359 A CB -0.909 18.126 19.000 0.058 0.000 0.819 359 A HN 0.457 nan 8.150 nan 0.000 0.448 360 E N -0.434 119.779 120.200 0.021 0.000 2.171 360 E HA -0.247 4.116 4.350 0.022 0.000 0.197 360 E C 1.845 178.450 176.600 0.008 0.000 0.997 360 E CA 1.462 57.862 56.400 0.002 0.000 0.810 360 E CB -0.142 29.543 29.700 -0.025 0.000 0.738 360 E HN 0.988 nan 8.360 nan 0.000 0.467 361 Q N -1.239 118.574 119.800 0.022 0.000 2.194 361 Q HA 0.251 4.604 4.340 0.022 0.000 0.214 361 Q C 0.815 176.842 176.000 0.046 0.000 0.838 361 Q CA 0.384 56.202 55.803 0.026 0.000 0.972 361 Q CB 1.115 29.863 28.738 0.016 0.000 1.131 361 Q HN 0.146 nan 8.270 nan 0.000 0.498 362 G N 0.660 109.492 108.800 0.054 0.000 2.132 362 G HA2 -0.225 3.748 3.960 0.022 0.000 0.234 362 G HA3 -0.225 3.748 3.960 0.022 0.000 0.234 362 G C -0.092 174.845 174.900 0.062 0.000 0.989 362 G CA 0.085 45.215 45.100 0.049 0.000 0.676 362 G HN 0.254 nan 8.290 nan 0.000 0.522 363 V N 0.885 120.861 119.914 0.104 0.000 2.432 363 V HA 0.416 4.549 4.120 0.022 0.000 0.275 363 V C 0.744 176.871 176.094 0.055 0.000 1.043 363 V CA -0.663 61.702 62.300 0.107 0.000 0.925 363 V CB 1.424 33.386 31.823 0.232 0.000 0.985 363 V HN 0.431 nan 8.190 nan 0.000 0.466 364 N N 4.144 122.845 118.700 0.001 0.000 2.530 364 N HA 0.333 5.086 4.740 0.022 0.000 0.273 364 N C -0.674 174.776 175.510 -0.100 0.000 1.173 364 N CA -0.073 52.959 53.050 -0.030 0.000 0.967 364 N CB 0.639 39.113 38.487 -0.022 0.000 1.109 364 N HN 0.575 nan 8.380 nan 0.000 0.453 365 I N 2.561 123.072 120.570 -0.099 0.000 2.330 365 I HA 0.276 4.459 4.170 0.022 0.000 0.289 365 I C 0.946 177.013 176.117 -0.083 0.000 1.001 365 I CA -0.509 60.703 61.300 -0.146 0.000 1.193 365 I CB 1.585 39.506 38.000 -0.132 0.000 1.345 365 I HN 0.648 nan 8.210 nan 0.000 0.461 366 A N 5.331 128.105 122.820 -0.077 0.000 2.016 366 A HA 0.586 4.919 4.320 0.022 0.000 0.217 366 A C 0.963 178.544 177.584 -0.005 0.000 1.162 366 A CA 1.017 53.037 52.037 -0.028 0.000 0.662 366 A CB 0.068 19.064 19.000 -0.006 0.000 0.812 366 A HN 0.828 nan 8.150 nan 0.000 0.450 367 A N -1.724 121.085 122.820 -0.019 0.000 2.581 367 A HA 0.627 4.960 4.320 0.022 0.000 0.294 367 A C -1.004 176.576 177.584 -0.008 0.000 1.035 367 A CA -0.191 51.849 52.037 0.006 0.000 0.684 367 A CB 0.596 19.625 19.000 0.047 0.000 1.282 367 A HN 0.386 nan 8.150 nan 0.000 0.417 368 Q N 0.207 120.014 119.800 0.011 0.000 2.386 368 Q HA 0.567 4.920 4.340 0.022 0.000 0.274 368 Q C -2.558 173.494 176.000 0.086 0.000 1.011 368 Q CA -0.605 55.216 55.803 0.030 0.000 0.867 368 Q CB 2.163 30.906 28.738 0.009 0.000 1.409 368 Q HN 1.066 nan 8.270 nan 0.000 0.395 369 Y N 3.409 123.681 120.300 -0.046 0.000 2.315 369 Y HA 0.508 5.071 4.550 0.022 0.000 0.324 369 Y C -2.140 173.715 175.900 -0.074 0.000 1.062 369 Y CA -1.022 57.051 58.100 -0.045 0.000 1.159 369 Y CB 1.326 39.761 38.460 -0.042 0.000 1.145 369 Y HN 0.645 nan 8.280 nan 0.000 0.442 370 L N 5.577 126.985 121.223 0.308 0.000 2.329 370 L HA 0.764 5.118 4.340 0.022 0.000 0.279 370 L C -1.251 175.756 176.870 0.228 0.000 1.014 370 L CA -0.277 54.670 54.840 0.178 0.000 0.814 370 L CB 1.794 43.943 42.059 0.150 0.000 1.257 370 L HN 0.680 nan 8.230 nan 0.000 0.424 371 Q N 1.970 121.849 119.800 0.132 0.000 2.421 371 Q HA 0.790 5.143 4.340 0.022 0.000 0.280 371 Q C -1.450 174.596 176.000 0.076 0.000 1.085 371 Q CA -0.387 55.494 55.803 0.131 0.000 0.807 371 Q CB 2.359 31.171 28.738 0.123 0.000 1.405 371 Q HN 0.818 nan 8.270 nan 0.000 0.419 372 T N -0.922 113.667 114.554 0.059 0.000 2.906 372 T HA 0.859 5.223 4.350 0.022 0.000 0.295 372 T C -0.336 174.359 174.700 -0.009 0.000 1.061 372 T CA -0.475 61.638 62.100 0.020 0.000 1.000 372 T CB 1.345 70.241 68.868 0.046 0.000 1.103 372 T HN 0.662 nan 8.240 nan 0.000 0.486 373 S N 0.760 116.429 115.700 -0.051 0.000 2.739 373 S HA 0.733 5.217 4.470 0.022 0.000 0.306 373 S C 1.867 176.447 174.600 -0.033 0.000 1.115 373 S CA -0.427 57.742 58.200 -0.052 0.000 0.985 373 S CB 0.966 64.105 63.200 -0.103 0.000 1.133 373 S HN 1.301 nan 8.310 nan 0.000 0.541 374 A N 0.868 123.672 122.820 -0.026 0.000 1.923 374 A HA -0.253 4.080 4.320 0.022 0.000 0.222 374 A C 2.058 179.633 177.584 -0.015 0.000 1.258 374 A CA 2.447 54.475 52.037 -0.014 0.000 0.670 374 A CB -1.250 17.741 19.000 -0.015 0.000 0.834 374 A HN 0.895 nan 8.150 nan 0.000 0.470 375 Q N -2.703 117.077 119.800 -0.033 0.000 2.246 375 Q HA 0.471 4.824 4.340 0.022 0.000 0.222 375 Q C 0.228 176.205 176.000 -0.038 0.000 0.851 375 Q CA -0.087 55.700 55.803 -0.027 0.000 0.945 375 Q CB 0.769 29.488 28.738 -0.031 0.000 1.122 375 Q HN 0.755 nan 8.270 nan 0.000 0.508 376 M N -0.323 119.231 119.600 -0.077 0.000 2.501 376 M HA 0.620 5.113 4.480 0.022 0.000 0.293 376 M C -1.463 174.754 176.300 -0.138 0.000 1.192 376 M CA -0.706 54.520 55.300 -0.124 0.000 0.886 376 M CB 2.073 34.531 32.600 -0.237 0.000 1.710 376 M HN 0.048 nan 8.290 nan 0.000 0.457 377 G N 2.254 110.933 108.800 -0.201 0.000 2.452 377 G HA2 0.600 4.573 3.960 0.022 0.000 0.324 377 G HA3 0.600 4.573 3.960 0.022 0.000 0.324 377 G C -2.586 172.032 174.900 -0.469 0.000 1.214 377 G CA -0.200 44.750 45.100 -0.249 0.000 0.947 377 G HN 0.662 nan 8.290 nan 0.000 0.478 378 Y N 2.381 122.516 120.300 -0.275 0.000 2.338 378 Y HA 0.648 5.211 4.550 0.022 0.000 0.333 378 Y C -1.240 174.687 175.900 0.045 0.000 0.968 378 Y CA -1.592 56.434 58.100 -0.124 0.000 1.123 378 Y CB 1.915 40.363 38.460 -0.021 0.000 1.165 378 Y HN 0.559 nan 8.280 nan 0.000 0.452 379 V N 7.042 126.891 119.914 -0.109 0.000 2.823 379 V HA 0.820 4.953 4.120 0.022 0.000 0.312 379 V C -1.701 174.230 176.094 -0.272 0.000 1.072 379 V CA -0.643 61.559 62.300 -0.164 0.000 0.937 379 V CB 2.150 34.039 31.823 0.111 0.000 1.013 379 V HN 0.598 nan 8.190 nan 0.000 0.430 380 V N 7.102 126.876 119.914 -0.232 0.000 2.555 380 V HA 0.607 4.740 4.120 0.022 0.000 0.302 380 V C -0.332 175.744 176.094 -0.030 0.000 1.038 380 V CA -0.463 61.767 62.300 -0.117 0.000 0.887 380 V CB 1.681 33.431 31.823 -0.122 0.000 0.991 380 V HN 0.721 nan 8.190 nan 0.000 0.434 381 I N 2.790 123.340 120.570 -0.035 0.000 2.545 381 I HA 0.497 4.681 4.170 0.022 0.000 0.292 381 I C -1.282 174.762 176.117 -0.122 0.000 1.040 381 I CA -0.633 60.626 61.300 -0.069 0.000 1.068 381 I CB 2.384 40.327 38.000 -0.094 0.000 1.251 381 I HN 0.508 nan 8.210 nan 0.000 0.424 382 D N 6.342 126.670 120.400 -0.120 0.000 2.233 382 D HA 0.617 5.271 4.640 0.022 0.000 0.240 382 D C -0.487 175.694 176.300 -0.199 0.000 1.074 382 D CA -0.110 53.805 54.000 -0.142 0.000 0.838 382 D CB 1.692 42.459 40.800 -0.055 0.000 1.124 382 D HN 0.440 nan 8.370 nan 0.000 0.475 383 I N -2.148 118.268 120.570 -0.257 0.000 2.846 383 I HA 0.566 4.749 4.170 0.022 0.000 0.307 383 I C -0.705 175.308 176.117 -0.173 0.000 1.053 383 I CA -1.032 60.070 61.300 -0.331 0.000 1.050 383 I CB 2.225 39.818 38.000 -0.677 0.000 1.239 383 I HN 0.045 nan 8.210 nan 0.000 0.439 384 E N 3.755 123.881 120.200 -0.123 0.000 2.063 384 E HA 0.716 5.079 4.350 0.022 0.000 0.265 384 E C -0.776 175.813 176.600 -0.017 0.000 0.919 384 E CA -0.681 55.690 56.400 -0.048 0.000 0.756 384 E CB 1.555 31.238 29.700 -0.029 0.000 1.120 384 E HN 0.815 nan 8.360 nan 0.000 0.414 385 A N 2.973 125.794 122.820 0.001 0.000 2.610 385 A HA 0.432 4.765 4.320 0.022 0.000 0.291 385 A C -1.381 176.224 177.584 0.035 0.000 1.086 385 A CA -1.129 50.928 52.037 0.033 0.000 0.677 385 A CB 1.152 20.194 19.000 0.070 0.000 1.278 385 A HN 0.606 nan 8.150 nan 0.000 0.414 386 D N -0.058 120.366 120.400 0.040 0.000 2.411 386 D HA 0.340 4.993 4.640 0.022 0.000 0.251 386 D C 0.852 177.178 176.300 0.043 0.000 1.201 386 D CA 0.138 54.161 54.000 0.038 0.000 0.996 386 D CB 0.306 41.126 40.800 0.032 0.000 1.101 386 D HN 0.595 nan 8.370 nan 0.000 0.504 387 E N 0.055 120.279 120.200 0.040 0.000 2.065 387 E HA -0.272 4.091 4.350 0.022 0.000 0.201 387 E C 1.278 177.904 176.600 0.043 0.000 1.016 387 E CA 1.624 58.049 56.400 0.041 0.000 0.818 387 E CB -0.340 29.382 29.700 0.037 0.000 0.749 387 E HN 0.522 nan 8.360 nan 0.000 0.453 388 D N 0.925 121.348 120.400 0.038 0.000 2.103 388 D HA -0.167 4.486 4.640 0.022 0.000 0.190 388 D C 2.271 178.597 176.300 0.043 0.000 0.997 388 D CA 1.524 55.545 54.000 0.035 0.000 0.833 388 D CB -0.279 40.538 40.800 0.029 0.000 0.961 388 D HN 0.025 nan 8.370 nan 0.000 0.447 389 V N 1.891 121.835 119.914 0.051 0.000 2.282 389 V HA -0.313 3.820 4.120 0.022 0.000 0.249 389 V C 2.623 178.773 176.094 0.094 0.000 1.057 389 V CA 2.091 64.432 62.300 0.068 0.000 1.032 389 V CB -0.855 31.020 31.823 0.087 0.000 0.645 389 V HN 0.219 nan 8.190 nan 0.000 0.447 390 A N -0.365 122.517 122.820 0.103 0.000 1.883 390 A HA -0.237 4.097 4.320 0.022 0.000 0.217 390 A C 2.168 179.805 177.584 0.088 0.000 1.186 390 A CA 1.838 53.947 52.037 0.121 0.000 0.624 390 A CB -0.492 18.557 19.000 0.082 0.000 0.822 390 A HN 0.628 nan 8.150 nan 0.000 0.444 391 E N 0.244 120.480 120.200 0.060 0.000 2.097 391 E HA -0.244 4.119 4.350 0.022 0.000 0.196 391 E C 1.980 178.603 176.600 0.038 0.000 1.000 391 E CA 1.594 58.022 56.400 0.047 0.000 0.804 391 E CB -0.319 29.403 29.700 0.037 0.000 0.740 391 E HN 0.669 nan 8.360 nan 0.000 0.454 392 K N 0.516 120.934 120.400 0.030 0.000 2.062 392 K HA -0.008 4.326 4.320 0.022 0.000 0.205 392 K C 2.248 178.836 176.600 -0.019 0.000 1.051 392 K CA 0.954 57.245 56.287 0.006 0.000 0.941 392 K CB -0.096 32.404 32.500 -0.000 0.000 0.719 392 K HN 0.040 nan 8.250 nan 0.000 0.440 393 A N 1.564 124.370 122.820 -0.023 0.000 1.930 393 A HA -0.134 4.199 4.320 0.022 0.000 0.217 393 A C 2.076 179.643 177.584 -0.027 0.000 1.175 393 A CA 0.944 52.911 52.037 -0.116 0.000 0.627 393 A CB -0.480 18.422 19.000 -0.163 0.000 0.815 393 A HN 0.228 nan 8.150 nan 0.000 0.443 394 L N 0.009 121.264 121.223 0.053 0.000 1.990 394 L HA -0.263 4.090 4.340 0.022 0.000 0.213 394 L C 2.375 179.275 176.870 0.051 0.000 1.072 394 L CA 2.591 57.475 54.840 0.075 0.000 0.755 394 L CB -1.015 41.088 42.059 0.073 0.000 0.889 394 L HN 0.529 nan 8.230 nan 0.000 0.432 395 Q N -0.960 118.857 119.800 0.027 0.000 2.077 395 Q HA -0.240 4.113 4.340 0.022 0.000 0.206 395 Q C 2.171 178.175 176.000 0.007 0.000 0.989 395 Q CA 2.041 57.854 55.803 0.018 0.000 0.853 395 Q CB -0.316 28.427 28.738 0.008 0.000 0.907 395 Q HN 0.739 nan 8.270 nan 0.000 0.418 396 A N 0.332 123.138 122.820 -0.024 0.000 1.930 396 A HA -0.184 4.149 4.320 0.022 0.000 0.217 396 A C 2.019 179.590 177.584 -0.021 0.000 1.175 396 A CA 1.272 53.282 52.037 -0.045 0.000 0.627 396 A CB -0.470 18.467 19.000 -0.106 0.000 0.815 396 A HN 0.325 nan 8.150 nan 0.000 0.443 397 M N -0.516 119.083 119.600 -0.003 0.000 2.082 397 M HA -0.237 4.256 4.480 0.022 0.000 0.258 397 M C 2.115 178.527 176.300 0.187 0.000 1.069 397 M CA 2.035 57.383 55.300 0.079 0.000 1.102 397 M CB -0.380 32.318 32.600 0.162 0.000 1.336 397 M HN 0.328 nan 8.290 nan 0.000 0.404 398 K N 0.094 120.576 120.400 0.137 0.000 2.074 398 K HA -0.153 4.181 4.320 0.022 0.000 0.209 398 K C 1.847 178.500 176.600 0.088 0.000 1.048 398 K CA 1.586 57.938 56.287 0.108 0.000 0.926 398 K CB -0.351 32.187 32.500 0.063 0.000 0.713 398 K HN 0.354 nan 8.250 nan 0.000 0.444 399 A N 1.073 123.928 122.820 0.059 0.000 2.209 399 A HA 0.025 4.359 4.320 0.022 0.000 0.212 399 A C 0.801 178.412 177.584 0.046 0.000 1.158 399 A CA 0.190 52.251 52.037 0.039 0.000 0.742 399 A CB -0.505 18.504 19.000 0.016 0.000 0.790 399 A HN 0.161 nan 8.150 nan 0.000 0.472 400 I N 1.586 122.201 120.570 0.076 0.000 2.668 400 I HA 0.059 4.242 4.170 0.022 0.000 0.285 400 I C -2.145 174.012 176.117 0.068 0.000 1.168 400 I CA -1.653 59.681 61.300 0.057 0.000 1.424 400 I CB 0.541 38.572 38.000 0.052 0.000 1.377 400 I HN 0.039 nan 8.210 nan 0.000 0.560 401 P HA -0.043 nan 4.420 nan 0.000 0.260 401 P C 0.812 178.143 177.300 0.052 0.000 1.172 401 P CA 0.856 63.976 63.100 0.034 0.000 0.760 401 P CB 0.443 32.152 31.700 0.014 0.000 0.773 402 G N 1.718 110.556 108.800 0.063 0.000 2.195 402 G HA2 -0.223 3.750 3.960 0.022 0.000 0.246 402 G HA3 -0.223 3.750 3.960 0.022 0.000 0.246 402 G C 0.337 175.318 174.900 0.136 0.000 0.984 402 G CA -0.042 45.110 45.100 0.086 0.000 0.633 402 G HN 0.585 nan 8.290 nan 0.000 0.525 403 T N 0.958 115.595 114.554 0.138 0.000 2.867 403 T HA 0.397 4.761 4.350 0.022 0.000 0.297 403 T C 1.851 176.546 174.700 -0.007 0.000 0.989 403 T CA 0.647 62.794 62.100 0.079 0.000 1.159 403 T CB 1.064 69.991 68.868 0.099 0.000 0.928 403 T HN 0.268 nan 8.240 nan 0.000 0.538 404 I N 1.915 122.444 120.570 -0.069 0.000 2.810 404 I HA 0.244 4.427 4.170 0.022 0.000 0.262 404 I C 1.358 177.431 176.117 -0.073 0.000 1.131 404 I CA 0.448 61.716 61.300 -0.052 0.000 1.453 404 I CB 0.287 38.261 38.000 -0.042 0.000 1.161 404 I HN 0.425 nan 8.210 nan 0.000 0.444 405 R N 0.193 120.609 120.500 -0.139 0.000 2.739 405 R HA 0.646 4.999 4.340 0.022 0.000 0.266 405 R C -2.161 174.080 176.300 -0.100 0.000 1.044 405 R CA -0.407 55.645 56.100 -0.080 0.000 0.885 405 R CB 1.914 32.196 30.300 -0.030 0.000 1.260 405 R HN 0.038 nan 8.270 nan 0.000 0.477 406 A N 2.718 125.535 122.820 -0.007 0.000 2.606 406 A HA 0.800 5.133 4.320 0.022 0.000 0.293 406 A C -1.597 176.035 177.584 0.080 0.000 1.082 406 A CA -0.698 51.383 52.037 0.073 0.000 0.685 406 A CB 2.243 21.328 19.000 0.142 0.000 1.284 406 A HN 0.637 nan 8.150 nan 0.000 0.408 407 R N 0.514 121.075 120.500 0.101 0.000 2.604 407 R HA 0.461 4.814 4.340 0.022 0.000 0.270 407 R C -2.294 174.044 176.300 0.064 0.000 1.052 407 R CA -0.794 55.348 56.100 0.070 0.000 0.902 407 R CB 1.743 32.070 30.300 0.046 0.000 1.233 407 R HN 0.690 nan 8.270 nan 0.000 0.455 408 L N 6.052 127.305 121.223 0.050 0.000 2.255 408 L HA 0.303 4.656 4.340 0.022 0.000 0.289 408 L C 0.391 177.274 176.870 0.022 0.000 1.046 408 L CA 0.086 54.943 54.840 0.028 0.000 0.816 408 L CB 1.080 43.163 42.059 0.039 0.000 1.197 408 L HN 0.737 nan 8.230 nan 0.000 0.427 409 L N 5.374 126.583 121.223 -0.023 0.000 2.145 409 L HA 0.154 4.507 4.340 0.022 0.000 0.201 409 L C -0.046 176.928 176.870 0.173 0.000 1.075 409 L CA 0.371 55.244 54.840 0.056 0.000 0.773 409 L CB -0.554 41.538 42.059 0.056 0.000 0.936 409 L HN 0.702 nan 8.230 nan 0.000 0.451 410 Y N 0.000 120.319 120.300 0.031 0.000 2.660 410 Y HA 0.000 4.563 4.550 0.022 0.000 0.201 410 Y CA 0.000 58.115 58.100 0.025 0.000 1.940 410 Y CB 0.000 38.472 38.460 0.020 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758